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16171-03-2 | 2H-1-Benzopyran-3-carboxamide, N-(4-chlorophenyl)-4-hydroxy-2-oxo-
CAS No: 16171-03-2 Catalog No: AG001VU5 MDL No:
Product Description
Catalog Number:
AG001VU5
Chemical Name:
2H-1-Benzopyran-3-carboxamide, N-(4-chlorophenyl)-4-hydroxy-2-oxo-
CAS Number:
16171-03-2
Molecular Formula:
C16H10ClNO4
Molecular Weight:
315.7079
IUPAC Name:
N-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
InChI:
InChI=1S/C16H10ClNO4/c17-9-5-7-10(8-6-9)18-15(20)13-14(19)11-3-1-2-4-12(11)22-16(13)21/h1-8,19H,(H,18,20)
InChI Key:
SLWZOQPAOHZSPT-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)NC(=O)c1c(=O)oc2c(c1O)cccc2
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.03g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.709g/mol
Monoisotopic Mass:
315.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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