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CAS 202197-26-0 3-Chloro-4-(3-fluorobenzyloxy)aniline molecular structure lightbox
CAS RN: 202197-26-0

3-Chloro-4-(3-fluorobenzyloxy)aniline

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250221 100g In stock Inquiry
Batchno.20250828 10g In stock Inquiry
Batchno.20251126 1g In stock Inquiry
Batchno.20250721 25g In stock Inquiry
Batchno.20251215 5g In stock Inquiry
  • Product code: SSC-095271
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g, 10g, 25g, 100g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 202197-26-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry
100g ＞97% 0 Out of Stock Hong Kong Inquiry

202197-26-0 / 3-chloro-4-[(3-fluorophenyl)methoxy]aniline

Standard CAS: 202197-26-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
202197-26-0
Multi CAS
No
Molecular Formula
C13H11ClFNO
Molecular Weight
251.680000
Exact Mass
251.051320
SMILES
C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)N)Cl
InChI
InChI=1S/C13H11ClFNO/c14-12-7-11(16)4-5-13(12)17-8-9-2-1-3-10(15)6-9/h1-7H,8,16H2
InChIKey
AYPFEYDGZDPAPE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.6
TPSA
35.25

LogP / Solubility

WLOGP
3.64
MLOGP
3.21
XLogP3
3.4
Consensus LogP
3.42
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral] H341: Suspected of causing genetic defects [Warning Germ cell mutagenicity] H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P260, P264, P270, P273, P280, P301+P317, P318, P319, P330, P391, P405, and P501 P203, P260, P264, P270, P273, P280, P301+P317, P302+P352, P318, P319, P321, P330, P332+P317, P362+P364, P391, P405, and P501

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