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114824-89-4 | 4(3H)-Quinazolinone, 2-[(2-hydroxyphenyl)amino]-
CAS No: 114824-89-4 Catalog No: AG000FB3 MDL No:
Product Description
Catalog Number:
AG000FB3
Chemical Name:
4(3H)-Quinazolinone, 2-[(2-hydroxyphenyl)amino]-
CAS Number:
114824-89-4
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
IUPAC Name:
2-(2-hydroxyanilino)-3H-quinazolin-4-one
InChI:
InChI=1S/C14H11N3O2/c18-12-8-4-3-7-11(12)16-14-15-10-6-2-1-5-9(10)13(19)17-14/h1-8,18H,(H2,15,16,17,19)
InChI Key:
PYKFOQZRRBXCQO-UHFFFAOYSA-N
SMILES:
Oc1ccccc1Nc1nc2ccccc2c(=O)[nH]1
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
253.261g/mol
Monoisotopic Mass:
253.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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