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951888-42-9 | 4-Bromo-3',4',5'-trifluorobenzophenone
CAS No: 951888-42-9 Catalog No: AG01EZS4 MDL No:
Product Description
Catalog Number:
AG01EZS4
Chemical Name:
4-Bromo-3',4',5'-trifluorobenzophenone
CAS Number:
951888-42-9
Molecular Formula:
C13H6BrF3O
Molecular Weight:
315.0853
IUPAC Name:
(4-bromophenyl)-(3,4,5-trifluorophenyl)methanone
InChI:
InChI=1S/C13H6BrF3O/c14-9-3-1-7(2-4-9)13(18)8-5-10(15)12(17)11(16)6-8/h1-6H
InChI Key:
YDCCMTSYHSKIDL-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)c1cc(F)c(c(c1)F)F
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.955g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.089g/mol
Monoisotopic Mass:
313.955g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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