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CAS 855836-62-3 2-BROMO-3-CHLOROPHENOL molecular structure lightbox
CAS RN: 855836-62-3

2-BROMO-3-CHLOROPHENOL

  • Product code: SSC-194033
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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: ＞97%
  • 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 855836-62-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

855836-62-3 / 2-bromo-3-chlorophenol

Standard CAS: 855836-62-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
855836-62-3
Multi CAS
No
Molecular Formula
C6H4BRCLO
Molecular Weight
207.450000
Exact Mass
205.913410
InChI
InChI=1S/C6H4BrClO/c7-6-4(8)2-1-3-5(6)9/h1-3,9H
InChIKey
SJFAAIBDKRBLMN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.82
TPSA
20.23

LogP / Solubility

WLOGP
2.81
MLOGP
2.47
XLogP3
2.9
Consensus LogP
2.73
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly 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)
-1.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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