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CAS 2267-99-4 Phenol, 2-chloro-4,6-difluoro- molecular structure lightbox
CAS RN: 2267-99-4

Phenol, 2-chloro-4,6-difluoro-

  • Product code: SSC-110631
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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 2267-99-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

2267-99-4 / 2-chloro-4,6-difluorophenol

Standard CAS: 2267-99-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2267-99-4
Multi CAS
No
Molecular Formula
C6H3ClF2O
Molecular Weight
164.540000
Exact Mass
163.984049
SMILES
C1=C(C=C(C(=C1F)O)Cl)F
InChI
InChI=1S/C6H3ClF2O/c7-4-1-3(8)2-5(9)6(4)10/h1-2,10H
InChIKey
BIMMYORCXVUELS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.03
TPSA
20.23

LogP / Solubility

WLOGP
2.32
MLOGP
2.04
XLogP3
2.6
Consensus LogP
2.32
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.07

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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