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15958-19-7 | Benzenesulfonic acid, 5-chloro-2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-4-methyl-
CAS No: 15958-19-7 Catalog No: AG001R6T MDL No:
Product Description
Catalog Number:
AG001R6T
Chemical Name:
Benzenesulfonic acid, 5-chloro-2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-4-methyl-
CAS Number:
15958-19-7
Molecular Formula:
C17H13ClN2O4S
Molecular Weight:
376.8141
IUPAC Name:
5-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonic acid
InChI:
InChI=1S/C17H13ClN2O4S/c1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21/h2-9,21H,1H3,(H,22,23,24)
InChI Key:
IYHIFXGFKVJNBB-UHFFFAOYSA-N
SMILES:
Cc1cc(N=Nc2c(O)ccc3c2cccc3)c(cc1Cl)S(=O)(=O)O
EC Number:
240-089-5
UNII:
V5JEX3KGDA
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.028g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
376.811g/mol
Monoisotopic Mass:
376.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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