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CAS 452-09-5 4-CHLORO-2-FLUOROANISOLE molecular structure lightbox
CAS RN: 452-09-5

4-CHLORO-2-FLUOROANISOLE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250502 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-152988
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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 452-09-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

452-09-5 / 4-chloro-2-fluoro-1-methoxybenzene

Standard CAS: 452-09-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
452-09-5
Multi CAS
Yes
Molecular Formula
C7H6CLFO
Molecular Weight
160.570000
Exact Mass
160.009121
InChI
InChI=1S/C7H6ClFO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
InChIKey
QIUCVZDNIUACJN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
37.96
TPSA
9.23

LogP / Solubility

WLOGP
2.49
MLOGP
2.18
XLogP3
2.8
Consensus LogP
2.49
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93

Drug-likeness / Medicinal Chemistry

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

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