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851192-19-3 | Benzenesulfonic acid, 3-[(1-acetyl-2-oxopropyl)azo]-5-chloro-2-hydroxy-
CAS No: 851192-19-3 Catalog No: AG004XC8 MDL No:
Product Description
Catalog Number:
AG004XC8
Chemical Name:
Benzenesulfonic acid, 3-[(1-acetyl-2-oxopropyl)azo]-5-chloro-2-hydroxy-
CAS Number:
851192-19-3
Molecular Formula:
C11H11ClN2O6S
Molecular Weight:
334.7328
IUPAC Name:
5-chloro-3-(2,4-dioxopentan-3-yldiazenyl)-2-hydroxybenzenesulfonic acid
InChI:
InChI=1S/C11H11ClN2O6S/c1-5(15)10(6(2)16)14-13-8-3-7(12)4-9(11(8)17)21(18,19)20/h3-4,10,17H,1-2H3,(H,18,19,20)
InChI Key:
RBIGIEVXYZXBSD-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(=O)C)N=Nc1cc(Cl)cc(c1O)S(=O)(=O)O
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.003g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.727g/mol
Monoisotopic Mass:
334.003g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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