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144335-37-5 | 2(1H)-Quinolinone, 3-(1H-benzimidazol-2-yl)-4-hydroxy-
CAS No: 144335-37-5 Catalog No: AG001JC1 MDL No:
Product Description
Catalog Number:
AG001JC1
Chemical Name:
2(1H)-Quinolinone, 3-(1H-benzimidazol-2-yl)-4-hydroxy-
CAS Number:
144335-37-5
Molecular Formula:
C16H11N3O2
Molecular Weight:
277.2774
IUPAC Name:
3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-quinolin-2-one
InChI:
InChI=1S/C16H11N3O2/c20-14-9-5-1-2-6-10(9)19-16(21)13(14)15-17-11-7-3-4-8-12(11)18-15/h1-8H,(H,17,18)(H2,19,20,21)
InChI Key:
YXCWBNCDJZEBKY-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2ccccc2c(c1c1nc2c([nH]1)cccc2)O
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
277.283g/mol
Monoisotopic Mass:
277.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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