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Home > Nitro Compounds > 832717-24-5
832717-24-5 | Ethanone, 1-[4-(methylsulfonyl)phenyl]-2-nitro-, oxime
CAS No: 832717-24-5 Catalog No: AG004YCD MDL No:
Product Description
Catalog Number:
AG004YCD
Chemical Name:
Ethanone, 1-[4-(methylsulfonyl)phenyl]-2-nitro-, oxime
CAS Number:
832717-24-5
Molecular Formula:
C9H10N2O5S
Molecular Weight:
258.2511
IUPAC Name:
N-[1-(4-methylsulfonylphenyl)-2-nitroethylidene]hydroxylamine
InChI:
InChI=1S/C9H10N2O5S/c1-17(15,16)8-4-2-7(3-5-8)9(10-12)6-11(13)14/h2-5,12H,6H2,1H3
InChI Key:
MGCAXCXMIKIVHR-UHFFFAOYSA-N
SMILES:
ON=C(c1ccc(cc1)S(=O)(=O)C)C[N+](=O)[O-]
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.031g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.248g/mol
Monoisotopic Mass:
258.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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