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Home > Nitro Compounds > 60781-31-9
60781-31-9 | SODIUM 4-METHOXY-2-NITROBENZENE-1-SULFINATE
CAS No: 60781-31-9 Catalog No: AG01C87I MDL No:MFCD24113314
Product Description
Catalog Number:
AG01C87I
Chemical Name:
SODIUM 4-METHOXY-2-NITROBENZENE-1-SULFINATE
CAS Number:
60781-31-9
Molecular Formula:
C7H6NNaO5S
Molecular Weight:
239.1810
MDL Number:
MFCD24113314
IUPAC Name:
sodium;4-methoxy-2-nitrobenzenesulfinate
InChI:
InChI=1S/C7H7NO5S.Na/c1-13-5-2-3-7(14(11)12)6(4-5)8(9)10;/h2-4H,1H3,(H,11,12);/q;+1/p-1
InChI Key:
APGPNEJHVBNEQN-UHFFFAOYSA-M
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])S(=O)[O-].[Na+]
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.986g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.177g/mol
Monoisotopic Mass:
238.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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