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4-Bromobenzotrifluoride

Catalog Number
ACM402437
Product Name
4-Bromobenzotrifluoride
Structure
CAS
402-43-7
Category
Liquid Crystal (LC) Building Blocks
IUPAC Name
1-bromo-4-(trifluoromethyl)benzene
Molecular Weight
225.01g/mol
Molecular Formula
C7H4BrF3
Canonical SMILES
C1=CC(=CC=C1C(F)(F)F)Br
InChI
InChI=1S/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChI Key
XLQSXGGDTHANLN-UHFFFAOYSA-N
Boiling Point
160.0 °C
Complexity
124
Covalently-Bonded Unit Count
1
EC Number
206-943-6
Exact Mass
223.94485g/mol
Formal Charge
0
Hazard Statements
H302
Heavy Atom Count
11
Monoisotopic Mass
223.94485g/mol
Rotatable Bond Count
0
XLogP3
3.9
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