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89242-54-6 | 2-Quinazolinecarboxylic acid, 4-phenyl-
CAS No: 89242-54-6 Catalog No: AG004490 MDL No:
Product Description
Catalog Number:
AG004490
Chemical Name:
2-Quinazolinecarboxylic acid, 4-phenyl-
CAS Number:
89242-54-6
Molecular Formula:
C15H10N2O2
Molecular Weight:
250.2521
IUPAC Name:
4-phenylquinazoline-2-carboxylic acid
InChI:
InChI=1S/C15H10N2O2/c18-15(19)14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10/h1-9H,(H,18,19)
InChI Key:
JKUQKAGFVASRKW-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc2ccccc2c(n1)c1ccccc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.257g/mol
Monoisotopic Mass:
250.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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