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CAS 405-78-7 (4-FLUOROPHENOXY)ACETYL CHLORIDE molecular structure lightbox
CAS RN: 405-78-7

(4-FLUOROPHENOXY)ACETYL CHLORIDE

  • Product code: SSC-148697
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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: ≥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 405-78-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

405-78-7 / 2-(4-fluorophenoxy)acetyl chloride

Standard CAS: 405-78-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
405-78-7
Multi CAS
No
Molecular Formula
C8H6CLFO2
Molecular Weight
188.580000
Exact Mass
188.004035
InChI
InChI=1S/C8H6ClFO2/c9-8(11)5-12-7-3-1-6(10)2-4-7/h1-4H,5H2
InChIKey
VNOMNADZORCTGC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
42.76
TPSA
26.3

LogP / Solubility

WLOGP
1.97
MLOGP
1.73
XLogP3
2.6
Consensus LogP
2.1
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.47

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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