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Home > Nitro Compounds > 99933-56-9
99933-56-9 | Methanone, (4-nitrophenyl)-4-quinazolinyl-
CAS No: 99933-56-9 Catalog No: AG003VOS MDL No:
Product Description
Catalog Number:
AG003VOS
Chemical Name:
Methanone, (4-nitrophenyl)-4-quinazolinyl-
CAS Number:
99933-56-9
Molecular Formula:
C15H9N3O3
Molecular Weight:
279.2503
IUPAC Name:
(4-nitrophenyl)-quinazolin-4-ylmethanone
InChI:
InChI=1S/C15H9N3O3/c19-15(10-5-7-11(8-6-10)18(20)21)14-12-3-1-2-4-13(12)16-9-17-14/h1-9H
InChI Key:
OYVHTXVOAVXNOI-UHFFFAOYSA-N
SMILES:
O=C(c1ncnc2c1cccc2)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.255g/mol
Monoisotopic Mass:
279.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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