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CAS 96516-32-4 (2-chloro-3-fluorophenyl)Methanol molecular structure lightbox
CAS RN: 96516-32-4

(2-chloro-3-fluorophenyl)Methanol

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2 package records0 with current stock1 grade group
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Batchno.20260220 1g Out of stock Inquiry
Batchno.20250812 5g Out of stock Inquiry
  • Product code: starshine_CAS96516-32-4
  • Purity/Analytical Methods: >99.0%
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96516-32-4 / (2-chloro-3-fluorophenyl)methanol

Standard CAS: 96516-32-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
96516-32-4
Multi CAS
No
Molecular Formula
C7H6CLFO
Molecular Weight
160.570000
Exact Mass
160.009121
InChI
InChI=1S/C7H6ClFO/c8-7-5(4-10)2-1-3-6(7)9/h1-3,10H,4H2
InChIKey
KHRLIQXQMVPXSB-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
H-bond donors
1
Molar refractivity
37.33
TPSA
20.23

LogP / Solubility

WLOGP
1.97
MLOGP
1.73
XLogP3
1.8
Consensus LogP
1.83
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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
Leadlikeness
No
Synthetic Accessibility
1.5

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