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914912-20-2 | 4-Bromo-3'-trifluoromethoxybiphenyl-2-carboxylic acid isopropylamide
CAS No: 914912-20-2 Catalog No: AG01EZ2K MDL No:
Product Description
Catalog Number:
AG01EZ2K
Chemical Name:
4-Bromo-3'-trifluoromethoxybiphenyl-2-carboxylic acid isopropylamide
CAS Number:
914912-20-2
Molecular Formula:
C17H15BrF3NO2
Molecular Weight:
402.2057
IUPAC Name:
5-bromo-N-propan-2-yl-2-[3-(trifluoromethoxy)phenyl]benzamide
InChI:
InChI=1S/C17H15BrF3NO2/c1-10(2)22-16(23)15-9-12(18)6-7-14(15)11-4-3-5-13(8-11)24-17(19,20)21/h3-10H,1-2H3,(H,22,23)
InChI Key:
HKTOOLIMHFDPCR-UHFFFAOYSA-N
SMILES:
CC(NC(=O)c1cc(Br)ccc1c1cccc(c1)OC(F)(F)F)C
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.024g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
402.211g/mol
Monoisotopic Mass:
401.024g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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