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Home > Nitro Compounds > 15959-31-6
15959-31-6 | sodium 4-nitrobenzene-1-sulfinate
CAS No: 15959-31-6 Catalog No: AG01BGRB MDL No:MFCD24113272
Product Description
Catalog Number:
AG01BGRB
Chemical Name:
sodium 4-nitrobenzene-1-sulfinate
CAS Number:
15959-31-6
Molecular Formula:
C6H4NNaO4S
Molecular Weight:
209.1550
MDL Number:
MFCD24113272
IUPAC Name:
sodium;4-nitrobenzenesulfinate
InChI:
InChI=1S/C6H5NO4S.Na/c8-7(9)5-1-3-6(4-2-5)12(10)11;/h1-4H,(H,10,11);/q;+1/p-1
InChI Key:
YAHKQSVGVMFKMR-UHFFFAOYSA-M
SMILES:
[O-]S(=O)c1ccc(cc1)[N+](=O)[O-].[Na+]
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.976g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.151g/mol
Monoisotopic Mass:
208.976g/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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