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13961-62-1 | 2(1H)-Quinazolinone, 6,7-dimethoxy-4-phenyl-
CAS No: 13961-62-1 Catalog No: AG001BDU MDL No:
Product Description
Catalog Number:
AG001BDU
Chemical Name:
2(1H)-Quinazolinone, 6,7-dimethoxy-4-phenyl-
CAS Number:
13961-62-1
Molecular Formula:
C16H14N2O3
Molecular Weight:
282.2940
IUPAC Name:
6,7-dimethoxy-4-phenyl-1H-quinazolin-2-one
InChI:
InChI=1S/C16H14N2O3/c1-20-13-8-11-12(9-14(13)21-2)17-16(19)18-15(11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,18,19)
InChI Key:
UKWHKNGMBFDJBU-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)[nH]c(=O)nc2c1ccccc1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.299g/mol
Monoisotopic Mass:
282.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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