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898760-51-5 | 3-(3-Bromophenyl)-2'-trifluoromethylpropiophenone
CAS No: 898760-51-5 Catalog No: AG01EYU0 MDL No:
Product Description
Catalog Number:
AG01EYU0
Chemical Name:
3-(3-Bromophenyl)-2'-trifluoromethylpropiophenone
CAS Number:
898760-51-5
Molecular Formula:
C16H12BrF3O
Molecular Weight:
357.1651
IUPAC Name:
3-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-one
InChI:
InChI=1S/C16H12BrF3O/c17-12-5-3-4-11(10-12)8-9-15(21)13-6-1-2-7-14(13)16(18,19)20/h1-7,10H,8-9H2
InChI Key:
CYJJHEIZFPQWKK-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)CCC(=O)c1ccccc1C(F)(F)F
Properties
Complexity:
356
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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