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Home > Nitro Compounds > 68400-42-0
68400-42-0 | sodium 2-hydroxy-5-nitro-3-[[2-oxo-1-[anilinocarbonyl]propyl]azo]benzenesulphonate
CAS No: 68400-42-0 Catalog No: AG00G01R MDL No:
Product Description
Catalog Number:
AG00G01R
Chemical Name:
sodium 2-hydroxy-5-nitro-3-[[2-oxo-1-[anilinocarbonyl]propyl]azo]benzenesulphonate
CAS Number:
68400-42-0
IUPAC Name:
sodium;3-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-2-hydroxy-5-nitrobenzenesulfonate
InChI:
InChI=1S/C16H14N4O8S.Na/c1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;/h2-8,14,22H,1H3,(H,17,23)(H,26,27,28);/q;+1/p-1
InChI Key:
MPCVYZWRPYLYMF-UHFFFAOYSA-M
EC Number:
270-031-4
Properties
Complexity:
741
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.035g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
444.35g/mol
Monoisotopic Mass:
444.035g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
203A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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