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CAS 208186-84-9 2-Chloro-4-fluorobenzyl Alcohol molecular structure lightbox
CAS RN: 208186-84-9

2-Chloro-4-fluorobenzyl Alcohol

  • Product code: SSC-097912
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 208186-84-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 4 In Stock Beijing Inquiry
5g >97% 1 In Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

208186-84-9 / (2-chloro-4-fluorophenyl)methanol

Standard CAS: 208186-84-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
208186-84-9
Multi CAS
No
Molecular Formula
C7H6ClFO
Molecular Weight
160.570000
Exact Mass
160.009121
SMILES
C1=CC(=C(C=C1F)Cl)CO
InChI
InChI=1S/C7H6ClFO/c8-7-3-6(9)2-1-5(7)4-10/h1-3,10H,4H2
InChIKey
ZUHMDLLAHZUDRE-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
2
Consensus LogP
1.9
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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