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1027513-81-0 | Benzene, 1-bromo-2-(2,2,2-trifluoroethyl)-
CAS No: 1027513-81-0 Catalog No: AG0008A0 MDL No:MFCD09996898
Product Description
Catalog Number:
AG0008A0
Chemical Name:
Benzene, 1-bromo-2-(2,2,2-trifluoroethyl)-
CAS Number:
1027513-81-0
Molecular Formula:
C8H6BrF3
Molecular Weight:
239.0324
MDL Number:
MFCD09996898
IUPAC Name:
1-bromo-2-(2,2,2-trifluoroethyl)benzene
InChI:
InChI=1S/C8H6BrF3/c9-7-4-2-1-3-6(7)5-8(10,11)12/h1-4H,5H2
InChI Key:
USTNSUARVYHWHF-UHFFFAOYSA-N
SMILES:
Brc1ccccc1CC(F)(F)F
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.96g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.035g/mol
Monoisotopic Mass:
237.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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