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Home > Nitro Compounds > 127-68-4
127-68-4 | Benzenesulfonic acid, 3-nitro-, sodium salt (1:1)
CAS No: 127-68-4 Catalog No: AG000WIN MDL No:MFCD00007490
Product Description
Catalog Number:
AG000WIN
Chemical Name:
Benzenesulfonic acid, 3-nitro-, sodium salt (1:1)
CAS Number:
127-68-4
Molecular Formula:
C6H4NNaO5S
Molecular Weight:
225.1544
MDL Number:
MFCD00007490
IUPAC Name:
sodium;3-nitrobenzenesulfonate
InChI:
InChI=1S/C6H5NO5S.Na/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,10,11,12);/q;+1/p-1
InChI Key:
LJRGBERXYNQPJI-UHFFFAOYSA-M
SMILES:
[O-][N+](=O)c1cccc(c1)S(=O)(=O)[O-].[Na+]
EC Number:
204-857-3
UNII:
1F11SXJ4C6
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.971g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.15g/mol
Monoisotopic Mass:
224.971g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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