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Home > Nitro Compounds > 63467-78-7
63467-78-7 | 5-Mercapto-2-nitrobenzoic acid sodium salt
CAS No: 63467-78-7 Catalog No: AG00F5ZF MDL No:
Product Description
Catalog Number:
AG00F5ZF
Chemical Name:
5-Mercapto-2-nitrobenzoic acid sodium salt
CAS Number:
63467-78-7
IUPAC Name:
sodium;3-carboxy-4-nitrobenzenethiolate
InChI:
InChI=1S/C7H5NO4S.Na/c9-7(10)5-3-4(13)1-2-6(5)8(11)12;/h1-3,13H,(H,9,10);/q;+1/p-1
InChI Key:
NJDXUHBDSYEROF-UHFFFAOYSA-M
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.976g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.162g/mol
Monoisotopic Mass:
220.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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