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CAS 89619-10-3 1-(1-BroMovinyl)-4-chlorobenzene molecular structure lightbox
CAS RN: 89619-10-3

1-(1-BroMovinyl)-4-chlorobenzene

  • Product code: SSC-201650
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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: 1g
  • 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 89619-10-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

89619-10-3 / 1-(1-bromoethenyl)-4-chlorobenzene

Standard CAS: 89619-10-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89619-10-3
Multi CAS
No
Molecular Formula
C8H6BRCL
Molecular Weight
217.490000
Exact Mass
215.934140
InChI
InChI=1S/C8H6BrCl/c1-6(9)7-2-4-8(10)5-3-7/h2-5H,1H2
InChIKey
ZVDIEXFKTMIHIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
Molar refractivity
49.41
TPSA
0.0000

LogP / Solubility

WLOGP
3.71
MLOGP
3.26
XLogP3
3.8
Consensus LogP
3.59
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.42

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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