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Home > Nitro Compounds > 1539042-47-1
1539042-47-1 | SODIUM 3,4-DIMETHYL-5-NITROBENZENE-1-SULFINATE
CAS No: 1539042-47-1 Catalog No: AG01C87W MDL No:MFCD24113308
Product Description
Catalog Number:
AG01C87W
Chemical Name:
SODIUM 3,4-DIMETHYL-5-NITROBENZENE-1-SULFINATE
CAS Number:
1539042-47-1
Molecular Formula:
C8H8NNaO4S
Molecular Weight:
237.2082
MDL Number:
MFCD24113308
IUPAC Name:
sodium;3,4-dimethyl-5-nitrobenzenesulfinate
InChI:
InChI=1S/C8H9NO4S.Na/c1-5-3-7(14(12)13)4-8(6(5)2)9(10)11;/h3-4H,1-2H3,(H,12,13);/q;+1/p-1
InChI Key:
NWWXSSQQLGHQSD-UHFFFAOYSA-M
SMILES:
[O-]S(=O)c1cc(C)c(c(c1)[N+](=O)[O-])C.[Na+]
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.007g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.205g/mol
Monoisotopic Mass:
237.007g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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