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13961-64-3 | 2(1H)-Quinazolinone, 6-methyl-4-phenyl-
CAS No: 13961-64-3 Catalog No: AG001BDT MDL No:
Product Description
Catalog Number:
AG001BDT
Chemical Name:
2(1H)-Quinazolinone, 6-methyl-4-phenyl-
CAS Number:
13961-64-3
Molecular Formula:
C15H12N2O
Molecular Weight:
236.2686
IUPAC Name:
6-methyl-4-phenyl-1H-quinazolin-2-one
InChI:
InChI=1S/C15H12N2O/c1-10-7-8-13-12(9-10)14(17-15(18)16-13)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18)
InChI Key:
ULRSRGDZNASHQP-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(nc(=O)[nH]2)c1ccccc1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.274g/mol
Monoisotopic Mass:
236.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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