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10132-99-7 | Benzenesulfonic acid, 4-[4-[2-(3-chloro-2-hydroxy-5-nitrophenyl)diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:1)
CAS No: 10132-99-7 Catalog No: AG00047Y MDL No:
Product Description
Catalog Number:
AG00047Y
Chemical Name:
Benzenesulfonic acid, 4-[4-[2-(3-chloro-2-hydroxy-5-nitrophenyl)diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:1)
CAS Number:
10132-99-7
Molecular Formula:
C16H11ClN5NaO7S
Molecular Weight:
475.7956
IUPAC Name:
sodium;4-[4-[(3-chloro-2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
InChI:
InChI=1S/C16H12ClN5O7S.Na/c1-8-14(19-18-13-7-10(22(25)26)6-12(17)15(13)23)16(24)21(20-8)9-2-4-11(5-3-9)30(27,28)29;/h2-7,14,23H,1H3,(H,27,28,29);/q;+1/p-1
InChI Key:
RDHAIEOCNXBZAH-UHFFFAOYSA-M
SMILES:
CC1=NN(C(=O)C1N=Nc1cc(cc(c1O)Cl)[N+](=O)[O-])c1ccc(cc1)S(=O)(=O)[O-].[Na+]
EC Number:
233-373-5
Properties
Complexity:
834
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.997g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
475.792g/mol
Monoisotopic Mass:
474.997g/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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