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Home > Nitro Compounds > 24688-29-7
24688-29-7 | 4(3H)-Quinazolinone, 2-methyl-7-nitro-
CAS No: 24688-29-7 Catalog No: AG002P1D MDL No:
Product Description
Catalog Number:
AG002P1D
Chemical Name:
4(3H)-Quinazolinone, 2-methyl-7-nitro-
CAS Number:
24688-29-7
Molecular Formula:
C9H7N3O3
Molecular Weight:
205.1702
IUPAC Name:
2-methyl-7-nitro-3H-quinazolin-4-one
InChI:
InChI=1S/C9H7N3O3/c1-5-10-8-4-6(12(14)15)2-3-7(8)9(13)11-5/h2-4H,1H3,(H,10,11,13)
InChI Key:
VADFPLYOLRQHBF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nc([nH]c2=O)C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.173g/mol
Monoisotopic Mass:
205.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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