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CAS 321-24-4 2-Fluoro-4-methoxybenzoylchloride molecular structure lightbox
CAS RN: 321-24-4

2-Fluoro-4-methoxybenzoylchloride

  • Product code: SSC-137589
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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: 1g
  • Available purity: ≥95%
  • 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 321-24-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

321-24-4 / 2-fluoro-4-methoxybenzoyl chloride

Standard CAS: 321-24-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
321-24-4
Multi CAS
Yes
Molecular Formula
C8H6CLFO2
Molecular Weight
188.580000
Exact Mass
188.004035
InChI
InChI=1S/C8H6ClFO2/c1-12-5-2-3-6(8(9)11)7(10)4-5/h2-4H,1H3
InChIKey
UHLDNUXKNREILG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
43.14
TPSA
26.3

LogP / Solubility

WLOGP
2.21
MLOGP
1.95
XLogP3
2.5
Consensus LogP
2.22
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.3

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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