Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, phenyl ester structure

Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, phenyl ester

phenyl 2-[bis(2-chloroethyl)amino]ethanesulfonate

Also Known As: Atropine salicylate|Phenyl2-(bis ethanesulfonate|Phenyl 2-(bis(2-chloroethyl)amino)ethanesulfonate|phenyl 2-[bis(2-chloroethyl)amino]ethanesulfonate|Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, phenyl ester|Phenyl 2-[bis(2-chloroethyl)amino]ethane-1-sulfonate|Ethanesulfonic acid,2-[bis(2-chloroethyl)amino]-, phenyl ester|Ethanesulfonic acid,2-[bis(2-chloroethyl)amino]-,phenyl ester|Ethanesulfonic acid, 2-[bis(2-chloroethyl)amino]-, phenyl ester

CAS: 5908-54-3
Molecular Formula C12H17Cl2NO3S
Molecular Weight 325.0306 g/mol
LogP 2.7
Topological Polar Surface Area 55.0 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 9
Exact Mass 325.0306
Monoisotopic Mass 325.0306
Heavy Atoms 19
Complexity 320.0

Chemical Identifiers

CAS Number 5908-54-3
SMILES C1=CC=C(C=C1)OS(=O)(=O)CCN(CCCl)CCCl
InChIKey WYGRTMGCDPQGQC-UHFFFAOYSA-N

Product Overview

Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, phenyl ester (CAS 5908-54-3), with molecular formula C12H17Cl2NO3S and molecular weight 325.0306 g/mol. IUPAC: phenyl 2-[bis(2-chloroethyl)amino]ethanesulfonate.

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