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113546-34-2 | Ethanone, 2-[(7-nitro-4-quinazolinyl)amino]-1-phenyl-
CAS No: 113546-34-2 Catalog No: AG0008YK MDL No:
Product Description
Catalog Number:
AG0008YK
Chemical Name:
Ethanone, 2-[(7-nitro-4-quinazolinyl)amino]-1-phenyl-
CAS Number:
113546-34-2
Molecular Formula:
C16H12N4O3
Molecular Weight:
308.2915
IUPAC Name:
2-[(7-nitroquinazolin-4-yl)amino]-1-phenylethanone
InChI:
InChI=1S/C16H12N4O3/c21-15(11-4-2-1-3-5-11)9-17-16-13-7-6-12(20(22)23)8-14(13)18-10-19-16/h1-8,10H,9H2,(H,17,18,19)
InChI Key:
QSCNPMUJQAQFLN-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CNc1ncnc2c1ccc(c2)[N+](=O)[O-]
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.091g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.297g/mol
Monoisotopic Mass:
308.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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