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105664-89-9 | 8H-Imidazo[4,5-g]quinazolin-8-one, 3,5-dihydro-2,3-dimethyl-4-nitro-
CAS No: 105664-89-9 Catalog No: AG00846E MDL No:
Product Description
Catalog Number:
AG00846E
Chemical Name:
8H-Imidazo[4,5-g]quinazolin-8-one, 3,5-dihydro-2,3-dimethyl-4-nitro-
CAS Number:
105664-89-9
Molecular Formula:
C11H9N5O3
Molecular Weight:
259.2209
IUPAC Name:
2,3-dimethyl-4-nitro-7H-imidazo[4,5-g]quinazolin-8-one
InChI:
InChI=1S/C11H9N5O3/c1-5-14-7-3-6-8(12-4-13-11(6)17)10(16(18)19)9(7)15(5)2/h3-4H,1-2H3,(H,12,13,17)
InChI Key:
QZCXBMADAOUNNL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c2c(cc3c1[nH]cnc3=O)nc(n2C)C
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.071g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.225g/mol
Monoisotopic Mass:
259.071g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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