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29197-65-7 | Benzamide, N-(2,3-dihydro-3-oxo-1-phenyl-1H-pyrazol-4-yl)-
CAS No: 29197-65-7 Catalog No: AG002XNH MDL No:
Product Description
Catalog Number:
AG002XNH
Chemical Name:
Benzamide, N-(2,3-dihydro-3-oxo-1-phenyl-1H-pyrazol-4-yl)-
CAS Number:
29197-65-7
Molecular Formula:
C16H13N3O2
Molecular Weight:
279.2933
IUPAC Name:
N-(5-oxo-2-phenyl-1H-pyrazol-4-yl)benzamide
InChI:
InChI=1S/C16H13N3O2/c20-15(12-7-3-1-4-8-12)17-14-11-19(18-16(14)21)13-9-5-2-6-10-13/h1-11H,(H,17,20)(H,18,21)
InChI Key:
PTFYRBBAGUPYEB-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1cn([nH]c1=O)c1ccccc1
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.299g/mol
Monoisotopic Mass:
279.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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