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Home > Nitro Compounds > 591755-12-3
591755-12-3 | 3-benzyl-6-nitroquinazolin-4(3H)-one
CAS No: 591755-12-3 Catalog No: AG00JGQA MDL No:MFCD00618045
Product Description
Catalog Number:
AG00JGQA
Chemical Name:
3-benzyl-6-nitroquinazolin-4(3H)-one
CAS Number:
591755-12-3
Molecular Formula:
C15H11N3O3
Molecular Weight:
281.2661
MDL Number:
MFCD00618045
IUPAC Name:
3-benzyl-6-nitroquinazolin-4-one
InChI:
InChI=1S/C15H11N3O3/c19-15-13-8-12(18(20)21)6-7-14(13)16-10-17(15)9-11-4-2-1-3-5-11/h1-8,10H,9H2
InChI Key:
QDHKHIPXXJILFR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(=O)n(cn2)Cc1ccccc1
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.271g/mol
Monoisotopic Mass:
281.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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