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900490-21-3 | 2-((3-Chlorophenyl)amino)quinazolin-4(3H)-one
CAS No: 900490-21-3 Catalog No: AG01FMR1 MDL No:MFCD07759144
Product Description
Catalog Number:
AG01FMR1
Chemical Name:
2-((3-Chlorophenyl)amino)quinazolin-4(3H)-one
CAS Number:
900490-21-3
Molecular Formula:
C14H10ClN3O
Molecular Weight:
271.7017
MDL Number:
MFCD07759144
IUPAC Name:
2-(3-chloroanilino)-3H-quinazolin-4-one
InChI:
InChI=1S/C14H10ClN3O/c15-9-4-3-5-10(8-9)16-14-17-12-7-2-1-6-11(12)13(19)18-14/h1-8H,(H2,16,17,18,19)
InChI Key:
OOHDYSCTHXJBCJ-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)Nc1nc2ccccc2c(=O)[nH]1
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.704g/mol
Monoisotopic Mass:
271.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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