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CAS 1782385-65-2 2-Bromo-4-chloro-3-fluoro-1-methyl-benzene molecular structure lightbox
CAS RN: 1782385-65-2

2-Bromo-4-chloro-3-fluoro-1-methyl-benzene

  • Product code: SSC-078634
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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 1782385-65-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1782385-65-2 / 3-bromo-1-chloro-2-fluoro-4-methylbenzene

Standard CAS: 1782385-65-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1782385-65-2
Multi CAS
No
Molecular Formula
C7H5BrClF
Molecular Weight
223.470000
Exact Mass
221.924720
SMILES
CC1=C(C(=C(C=C1)Cl)F)Br
InChI
InChI=1S/C7H5BrClF/c1-4-2-3-5(9)7(10)6(4)8/h2-3H,1H3
InChIKey
PVDHZYNJLJWOOX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
Molar refractivity
43.85
TPSA
0.0000

LogP / Solubility

WLOGP
3.55
MLOGP
3.13
XLogP3
3.7
Consensus LogP
3.46
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly 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)
-1.56

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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