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CAS 274671-76-0 5-bromo-2-(bromomethyl)-1,3-dichlorobenzene molecular structure lightbox
CAS RN: 274671-76-0

5-bromo-2-(bromomethyl)-1,3-dichlorobenzene

  • Product code: SSC-126808
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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 274671-76-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

274671-76-0 / 5-bromo-2-(bromomethyl)-1,3-dichlorobenzene

Standard CAS: 274671-76-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
274671-76-0
Multi CAS
No
Molecular Formula
C7H4Br2Cl2
Molecular Weight
318.820000
Exact Mass
317.803630
SMILES
C1=C(C=C(C(=C1Cl)CBr)Cl)Br
InChI
InChI=1S/C7H4Br2Cl2/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2H,3H2
InChIKey
FDWFIQWULNKHOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
Molar refractivity
56.79
TPSA
0.0000

LogP / Solubility

WLOGP
4.65
MLOGP
4.11
XLogP3
4.4
Consensus LogP
4.39
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.71
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.36

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
1.5

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