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40161-55-5 | 1-Bromo-4-fluoro-2-(trifluoromethyl)benzene
CAS No: 40161-55-5 Catalog No: AG003GPO MDL No:MFCD00040937
Product Description
Catalog Number:
AG003GPO
Chemical Name:
1-Bromo-4-fluoro-2-(trifluoromethyl)benzene
CAS Number:
40161-55-5
Molecular Formula:
C7H3BrF4
Molecular Weight:
242.9963
MDL Number:
MFCD00040937
IUPAC Name:
1-bromo-4-fluoro-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H3BrF4/c8-6-2-1-4(9)3-5(6)7(10,11)12/h1-3H
InChI Key:
AIDVAZGOACECLJ-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(F)(F)F)Br
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.935g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.999g/mol
Monoisotopic Mass:
241.935g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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