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CAS 79455-63-3 2-Chloro-6-fluorobenzoyl Chloride molecular structure lightbox
CAS RN: 79455-63-3

2-Chloro-6-fluorobenzoyl Chloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250129 1g / 5g / 25g Confirm by inquiry Shandong, Guangdong, Shanghai Inquiry
  • Product code: SSC-188619
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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: 25g
  • Available purity: ≥98%
  • 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 79455-63-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry

79455-63-3 / 2-chloro-6-fluorobenzoyl chloride

Standard CAS: 79455-63-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
79455-63-3
Multi CAS
No
Molecular Formula
C7H3CL2FO
Molecular Weight
193.000000
Exact Mass
191.954498
InChI
InChI=1S/C7H3Cl2FO/c8-4-2-1-3-5(10)6(4)7(9)11/h1-3H
InChIKey
GFNAJZAKJGKJCS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
41.59
TPSA
17.07

LogP / Solubility

WLOGP
2.86
MLOGP
2.51
XLogP3
3.1
Consensus LogP
2.82
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly 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)
-1.87

Drug-likeness / Medicinal Chemistry

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

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