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88787-40-0 | Benzenesulfonic acid, 4-amino-2-chloro-5-hydroxy-
CAS No: 88787-40-0 Catalog No: AG004CYR MDL No:
Product Description
Catalog Number:
AG004CYR
Chemical Name:
Benzenesulfonic acid, 4-amino-2-chloro-5-hydroxy-
CAS Number:
88787-40-0
Molecular Formula:
C6H6ClNO4S
Molecular Weight:
223.6341
IUPAC Name:
4-amino-2-chloro-5-hydroxybenzenesulfonic acid
InChI:
InChI=1S/C6H6ClNO4S/c7-3-1-4(8)5(9)2-6(3)13(10,11)12/h1-2,9H,8H2,(H,10,11,12)
InChI Key:
UQKAOPWZAUTFPK-UHFFFAOYSA-N
SMILES:
Nc1cc(Cl)c(cc1O)S(=O)(=O)O
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.971g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
223.627g/mol
Monoisotopic Mass:
222.971g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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