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CAS 944268-56-8 2-Bromo-6-methylbenzotrifluoride molecular structure lightbox
CAS RN: 944268-56-8

2-Bromo-6-methylbenzotrifluoride

  • Product code: SSC-209212
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 1g, 0.25g, 5g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 944268-56-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 1 In Stock Shanghai Inquiry
1g ≥98% 1 In Stock Shenzhen Inquiry
0.25g ≥98% 0 Out of Stock Hong Kong Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry

944268-56-8 / 1-bromo-3-methyl-2-(trifluoromethyl)benzene

Standard CAS: 944268-56-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
944268-56-8
Multi CAS
No
Molecular Formula
BC8H6Rf3
Molecular Weight
239.030000
Exact Mass
237.960500
InChI
InChI=1S/C8H6BrF3/c1-5-3-2-4-6(9)7(5)8(10,11)12/h2-4H,1H3
InChIKey
BGTQSQRDRWEFPU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
3
Molar refractivity
43.88
TPSA
0.0000

LogP / Solubility

WLOGP
3.78
MLOGP
3.33
XLogP3
3.9
Consensus LogP
3.67
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
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)
-1.5

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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