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Home > Nitro Compounds > 1538111-99-7
1538111-99-7 | SODIUM 2-ETHYL-5-NITROBENZENE-1-SULFINATE
CAS No: 1538111-99-7 Catalog No: AG01C88D MDL No:MFCD24113339
Product Description
Catalog Number:
AG01C88D
Chemical Name:
SODIUM 2-ETHYL-5-NITROBENZENE-1-SULFINATE
CAS Number:
1538111-99-7
Molecular Formula:
C8H8NNaO4S
Molecular Weight:
237.2082
MDL Number:
MFCD24113339
IUPAC Name:
sodium;2-ethyl-5-nitrobenzenesulfinate
InChI:
InChI=1S/C8H9NO4S.Na/c1-2-6-3-4-7(9(10)11)5-8(6)14(12)13;/h3-5H,2H2,1H3,(H,12,13);/q;+1/p-1
InChI Key:
FPSGANFJBQLUBW-UHFFFAOYSA-M
SMILES:
CCc1ccc(cc1S(=O)[O-])[N+](=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:
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:
1
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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