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1201632-88-3 | 2(1H)-Quinazolinone, 4-(phenylmethyl)-
CAS No: 1201632-88-3 Catalog No: AG000QFU MDL No:
Product Description
Catalog Number:
AG000QFU
Chemical Name:
2(1H)-Quinazolinone, 4-(phenylmethyl)-
CAS Number:
1201632-88-3
Molecular Formula:
C15H12N2O
Molecular Weight:
236.2686
IUPAC Name:
4-benzyl-3H-quinazolin-2-one
InChI:
InChI=1S/C15H12N2O/c18-15-16-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18)
InChI Key:
XLZPHYYLLXNERM-UHFFFAOYSA-N
SMILES:
O=c1nc(Cc2ccccc2)c2c([nH]1)cccc2
Properties
Complexity:
477
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:
2
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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