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163975-05-1 | Benzene, 1-bromo-3-(2,2,2-trifluoroethyl)-
CAS No: 163975-05-1 Catalog No: AG001UJX MDL No:MFCD10697864
Product Description
Catalog Number:
AG001UJX
Chemical Name:
Benzene, 1-bromo-3-(2,2,2-trifluoroethyl)-
CAS Number:
163975-05-1
Molecular Formula:
C8H6BrF3
Molecular Weight:
239.0324
MDL Number:
MFCD10697864
IUPAC Name:
1-bromo-3-(2,2,2-trifluoroethyl)benzene
InChI:
InChI=1S/C8H6BrF3/c9-7-3-1-2-6(4-7)5-8(10,11)12/h1-4H,5H2
InChI Key:
CQVBJYBIGXUWPB-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)CC(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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