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Home > Nitro Compounds > 88730-40-9
88730-40-9 | Acetamide, N-[(methylsulfonyl)oxy]-N-(4-nitrophenyl)-
CAS No: 88730-40-9 Catalog No: AG0045JA MDL No:
Product Description
Catalog Number:
AG0045JA
Chemical Name:
Acetamide, N-[(methylsulfonyl)oxy]-N-(4-nitrophenyl)-
CAS Number:
88730-40-9
Molecular Formula:
C9H10N2O6S
Molecular Weight:
274.2505
IUPAC Name:
(N-acetyl-4-nitroanilino) methanesulfonate
InChI:
InChI=1S/C9H10N2O6S/c1-7(12)10(17-18(2,15)16)8-3-5-9(6-4-8)11(13)14/h3-6H,1-2H3
InChI Key:
CNUNSFYNHGATDX-UHFFFAOYSA-N
SMILES:
CC(=O)N(c1ccc(cc1)[N+](=O)[O-])OS(=O)(=O)C
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.026g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.247g/mol
Monoisotopic Mass:
274.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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