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Home > Nitro Compounds > 82897-03-8
82897-03-8 | Benzamide, N-methyl-4-nitro-N-nitroso-
CAS No: 82897-03-8 Catalog No: AG0054BO MDL No:
Product Description
Catalog Number:
AG0054BO
Chemical Name:
Benzamide, N-methyl-4-nitro-N-nitroso-
CAS Number:
82897-03-8
Molecular Formula:
C8H7N3O4
Molecular Weight:
209.1589
IUPAC Name:
N-methyl-4-nitro-N-nitrosobenzamide
InChI:
InChI=1S/C8H7N3O4/c1-10(9-13)8(12)6-2-4-7(5-3-6)11(14)15/h2-5H,1H3
InChI Key:
BVIOZQAERAHBGJ-UHFFFAOYSA-N
SMILES:
O=NN(C(=O)c1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.161g/mol
Monoisotopic Mass:
209.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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