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951888-36-1 | 2-Bromo-3',4',5'-trifluorobenzophenone
CAS No: 951888-36-1 Catalog No: AG01EZS1 MDL No:
Product Description
Catalog Number:
AG01EZS1
Chemical Name:
2-Bromo-3',4',5'-trifluorobenzophenone
CAS Number:
951888-36-1
Molecular Formula:
C13H6BrF3O
Molecular Weight:
315.0853
IUPAC Name:
(2-bromophenyl)-(3,4,5-trifluorophenyl)methanone
InChI:
InChI=1S/C13H6BrF3O/c14-9-4-2-1-3-8(9)13(18)7-5-10(15)12(17)11(16)6-7/h1-6H
InChI Key:
ZTZPXSXGBGNBRD-UHFFFAOYSA-N
SMILES:
Brc1ccccc1C(=O)c1cc(F)c(c(c1)F)F
Properties
Complexity:
301
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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