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873053-21-5 | N-(2-(cyanomethyl)phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
CAS No: 873053-21-5 Catalog No: AG00H3T0 MDL No:
Product Description
Catalog Number:
AG00H3T0
Chemical Name:
N-(2-(cyanomethyl)phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
CAS Number:
873053-21-5
IUPAC Name:
N-[2-(cyanomethyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
InChI:
InChI=1S/C18H13N3O2/c19-10-9-12-5-1-3-7-15(12)21-18(23)14-11-20-16-8-4-2-6-13(16)17(14)22/h1-8,11H,9H2,(H,20,22)(H,21,23)
InChI Key:
OMRVXEFUCYRWKX-UHFFFAOYSA-N
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.101g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.321g/mol
Monoisotopic Mass:
303.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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