CAS
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Specification
The molecular formula is C6H6ClNO4S.
The molecular weight is 223.63 g/mol.
The IUPAC name is 3-amino-5-chloro-2-hydroxybenzenesulfonic acid.
The InChI code is InChI=1S/C6H6ClNO4S/c7-3-1-4(8)6(9)5(2-3)13(10,11)12/h1-2,9H,8H2,(H,10,11,12).
The InChIKey is YCTAOQGPWNTYJE-UHFFFAOYSA-N.
The CAS number is 88-23-3.
The XLogP3-AA value is 0.8.
It has 3 hydrogen bond donor counts.
It has 5 hydrogen bond acceptor counts.
It has 1 rotatable bond count.