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144259-34-7 | Benzoic acid, 4-[(2-chloro-4-quinazolinyl)amino]-
CAS No: 144259-34-7 Catalog No: AG001J6O MDL No:
Product Description
Catalog Number:
AG001J6O
Chemical Name:
Benzoic acid, 4-[(2-chloro-4-quinazolinyl)amino]-
CAS Number:
144259-34-7
Molecular Formula:
C15H10ClN3O2
Molecular Weight:
299.7118
IUPAC Name:
4-[(2-chloroquinazolin-4-yl)amino]benzoic acid
InChI:
InChI=1S/C15H10ClN3O2/c16-15-18-12-4-2-1-3-11(12)13(19-15)17-10-7-5-9(6-8-10)14(20)21/h1-8H,(H,20,21)(H,17,18,19)
InChI Key:
ROTQGOPACQWRKG-UHFFFAOYSA-N
SMILES:
Clc1nc(Nc2ccc(cc2)C(=O)O)c2c(n1)cccc2
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.046g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.714g/mol
Monoisotopic Mass:
299.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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