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CAS 203626-41-9 3-CHLORO-2-IODOBENZOTRIFLUORIDE molecular structure lightbox
CAS RN: 203626-41-9

3-CHLORO-2-IODOBENZOTRIFLUORIDE

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251225 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250622 250mg In stock Shenzhen Inquiry
Batchno.20250307 5g Out of stock Inquiry
  • Product code: SSC-095858
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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
  • 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 203626-41-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

203626-41-9 / 1-chloro-2-iodo-3-(trifluoromethyl)benzene

Standard CAS: 203626-41-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
203626-41-9
Multi CAS
No
Molecular Formula
C7H3ClF3I
Molecular Weight
306.450000
Exact Mass
305.892010
SMILES
C1=CC(=C(C(=C1)Cl)I)C(F)(F)F
InChI
InChI=1S/C7H3ClF3I/c8-5-3-1-2-4(6(5)12)7(9,10)11/h1-3H
InChIKey
IEWCYWSKUHXVED-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
49.17
TPSA
0.0000

LogP / Solubility

WLOGP
3.96
MLOGP
3.5
XLogP3
4.1
Consensus LogP
3.85
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78

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

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