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898761-76-7 | 3-(4-Bromophenyl)-4'-trifluoromethylpropiophenone
CAS No: 898761-76-7 Catalog No: AG01EYVF MDL No:
Product Description
Catalog Number:
AG01EYVF
Chemical Name:
3-(4-Bromophenyl)-4'-trifluoromethylpropiophenone
CAS Number:
898761-76-7
Molecular Formula:
C16H12BrF3O
Molecular Weight:
357.1651
IUPAC Name:
3-(4-bromophenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one
InChI:
InChI=1S/C16H12BrF3O/c17-14-8-1-11(2-9-14)3-10-15(21)12-4-6-13(7-5-12)16(18,19)20/h1-2,4-9H,3,10H2
InChI Key:
KBEGKOWJWAFXCV-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CCC(=O)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.002g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.17g/mol
Monoisotopic Mass:
356.002g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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