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898761-72-3 | 3-(4-Bromophenyl)-2'-trifluoromethylpropiophenone
CAS No: 898761-72-3 Catalog No: AG01EYVD MDL No:
Product Description
Catalog Number:
AG01EYVD
Chemical Name:
3-(4-Bromophenyl)-2'-trifluoromethylpropiophenone
CAS Number:
898761-72-3
Molecular Formula:
C16H12BrF3O
Molecular Weight:
357.1651
IUPAC Name:
3-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-one
InChI:
InChI=1S/C16H12BrF3O/c17-12-8-5-11(6-9-12)7-10-15(21)13-3-1-2-4-14(13)16(18,19)20/h1-6,8-9H,7,10H2
InChI Key:
NKYMKPLFDPPQRT-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CCC(=O)c1ccccc1C(F)(F)F
Properties
Complexity:
348
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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