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CAS 23135-16-2 1-CHLORO-4-(1,2-DIBROMOETHYL)BENZENE molecular structure lightbox
CAS RN: 23135-16-2

1-CHLORO-4-(1,2-DIBROMOETHYL)BENZENE

  • Product code: SSC-112639
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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 23135-16-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g 95% 0 Out of Stock Hong Kong Inquiry

23135-16-2 / 1-chloro-4-(1,2-dibromoethyl)benzene

Standard CAS: 23135-16-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23135-16-2
Multi CAS
No
Molecular Formula
C8H7Br2Cl
Molecular Weight
298.400000
Exact Mass
297.858250
SMILES
C1=CC(=CC=C1C(CBr)Br)Cl
InChI
InChI=1S/C8H7Br2Cl/c9-5-8(10)6-1-3-7(11)4-2-6/h1-4,8H,5H2
InChIKey
LBLPNCDPGCZTRP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
Molar refractivity
56.91
TPSA
0.0000

LogP / Solubility

WLOGP
4.17
MLOGP
3.68
XLogP3
3.9
Consensus LogP
3.92
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
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)
-1.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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