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Home > Nitro Compounds > 19801-10-6
19801-10-6 | 2(1H)-Quinoxalinone, 3-methyl-6-nitro-
CAS No: 19801-10-6 Catalog No: AG002B85 MDL No:
Product Description
Catalog Number:
AG002B85
Chemical Name:
2(1H)-Quinoxalinone, 3-methyl-6-nitro-
CAS Number:
19801-10-6
Molecular Formula:
C9H7N3O3
Molecular Weight:
205.1702
IUPAC Name:
3-methyl-6-nitro-1H-quinoxalin-2-one
InChI:
InChI=1S/C9H7N3O3/c1-5-9(13)11-7-3-2-6(12(14)15)4-8(7)10-5/h2-4H,1H3,(H,11,13)
InChI Key:
ZCIHDCPZGZHLOG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nc(c(=O)[nH]2)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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