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Home > Nitro Compounds > 832717-23-4
832717-23-4 | Ethanone, 1-[4-(methylsulfonyl)phenyl]-2-nitro-
CAS No: 832717-23-4 Catalog No: AG0056QV MDL No:
Product Description
Catalog Number:
AG0056QV
Chemical Name:
Ethanone, 1-[4-(methylsulfonyl)phenyl]-2-nitro-
CAS Number:
832717-23-4
Molecular Formula:
C9H9NO5S
Molecular Weight:
243.2365
IUPAC Name:
1-(4-methylsulfonylphenyl)-2-nitroethanone
InChI:
InChI=1S/C9H9NO5S/c1-16(14,15)8-4-2-7(3-5-8)9(11)6-10(12)13/h2-5H,6H2,1H3
InChI Key:
JGJLTJVTQIIMEZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(=O)c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.233g/mol
Monoisotopic Mass:
243.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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