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Home > Nitro Compounds > 61931-83-7
61931-83-7 | sodium p-[4,5-dihydro-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate
CAS No: 61931-83-7 Catalog No: AG00F51Z MDL No:
Product Description
Catalog Number:
AG00F51Z
Chemical Name:
sodium p-[4,5-dihydro-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate
CAS Number:
61931-83-7
IUPAC Name:
sodium;4-[4-[(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
InChI:
InChI=1S/C17H15N5O7S.Na/c1-9-7-13(16(23)14(8-9)22(25)26)18-19-15-10(2)20-21(17(15)24)11-3-5-12(6-4-11)30(27,28)29;/h3-8,15,23H,1-2H3,(H,27,28,29);/q;+1/p-1
InChI Key:
OJGQFVLZBNVKPQ-UHFFFAOYSA-M
EC Number:
263-340-0
Properties
Complexity:
828
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.051g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
455.377g/mol
Monoisotopic Mass:
455.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
189A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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