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156307-55-0 | SODIUM 2-METHYL-5-NITROBENZENE-1-SULFINATE
CAS No: 156307-55-0 Catalog No: AG01C4NI MDL No:MFCD24113274
Product Description
Catalog Number:
AG01C4NI
Chemical Name:
SODIUM 2-METHYL-5-NITROBENZENE-1-SULFINATE
CAS Number:
156307-55-0
Molecular Formula:
C7H6NNaO4S
Molecular Weight:
223.1816
MDL Number:
MFCD24113274
IUPAC Name:
sodium;2-methyl-5-nitrobenzenesulfinate
InChI:
InChI=1S/C7H7NO4S.Na/c1-5-2-3-6(8(9)10)4-7(5)13(11)12;/h2-4H,1H3,(H,11,12);/q;+1/p-1
InChI Key:
AVYGUZMCIBWTEZ-UHFFFAOYSA-M
SMILES:
[O-]S(=O)c1cc(ccc1C)[N+](=O)[O-].[Na+]
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.178g/mol
Monoisotopic Mass:
222.992g/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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