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Home > Nitro Compounds > 1671-49-4
1671-49-4 | Benzene, 1-methyl-4-(methylsulfonyl)-2-nitro-
CAS No: 1671-49-4 Catalog No: AG001X4S MDL No:MFCD00047808
Product Description
Catalog Number:
AG001X4S
Chemical Name:
Benzene, 1-methyl-4-(methylsulfonyl)-2-nitro-
CAS Number:
1671-49-4
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
MDL Number:
MFCD00047808
IUPAC Name:
1-methyl-4-methylsulfonyl-2-nitrobenzene
InChI:
InChI=1S/C8H9NO4S/c1-6-3-4-7(14(2,12)13)5-8(6)9(10)11/h3-5H,1-2H3
InChI Key:
OXBDLEXAVKAJFD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C)S(=O)(=O)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.223g/mol
Monoisotopic Mass:
215.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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