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85721-09-1 | 2-BROMO-4'-FLUORO-4-(TRIFLUOROMETHYL)BENZOPHENONE
CAS No: 85721-09-1 Catalog No: AG004YN9 MDL No:
Product Description
Catalog Number:
AG004YN9
Chemical Name:
2-BROMO-4'-FLUORO-4-(TRIFLUOROMETHYL)BENZOPHENONE
CAS Number:
85721-09-1
Molecular Formula:
C14H7BrF4O
Molecular Weight:
347.1024
IUPAC Name:
[2-bromo-4-(trifluoromethyl)phenyl]-(4-fluorophenyl)methanone
InChI:
InChI=1S/C14H7BrF4O/c15-12-7-9(14(17,18)19)3-6-11(12)13(20)8-1-4-10(16)5-2-8/h1-7H
InChI Key:
PGXKLZYRXYOHHQ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(=O)c1ccc(cc1Br)C(F)(F)F
EC Number:
288-419-7
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.962g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.107g/mol
Monoisotopic Mass:
345.962g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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