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824953-03-9 | Benzamide, N-[2-(2-bromo-4-pyridinyl)phenyl]-2-(trifluoromethyl)-
CAS No: 824953-03-9 Catalog No: AG00504F MDL No:
Product Description
Catalog Number:
AG00504F
Chemical Name:
Benzamide, N-[2-(2-bromo-4-pyridinyl)phenyl]-2-(trifluoromethyl)-
CAS Number:
824953-03-9
Molecular Formula:
C19H12BrF3N2O
Molecular Weight:
421.2106
IUPAC Name:
N-[2-(2-bromopyridin-4-yl)phenyl]-2-(trifluoromethyl)benzamide
InChI:
InChI=1S/C19H12BrF3N2O/c20-17-11-12(9-10-24-17)13-5-2-4-8-16(13)25-18(26)14-6-1-3-7-15(14)19(21,22)23/h1-11H,(H,25,26)
InChI Key:
UYDQQMQAGNOBGU-UHFFFAOYSA-N
SMILES:
Brc1nccc(c1)c1ccccc1NC(=O)c1ccccc1C(F)(F)F
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.009g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
421.217g/mol
Monoisotopic Mass:
420.009g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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