4-[bis(2-chloroethyl)amino]butan-2-one hydrate hydrobromide

Systemtic Name: 4-[bis(2-chloroethyl)amino]butan-2-one hydrate hydrobromide Openeye Name: 4-[bis(2-chloroethyl)amino]butan-2-one hydrate hydrobromide CAS Name: 4-[bis(2-chloroethyl)amino]-2-butanone hydrate hydrobromide IUPAC Name: 4-[bis(2-chloroethyl)amino]butan-2-one hydrate hydrobromide Traditional Name: 4-[bis(2-chloroethyl)amino]butan-2-one hydrate hydrobromide Formula: C8H18BrCl2NO2 MolecularWeight: 311.04402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN(CCCl)CCCl.O.Br

Isomeric SMILES

CC(=O)CCN(CCCl)CCCl.O.Br

InChI

InChI=1S/C8H15Cl2NO.BrH.H2O/c1-8(12)2-5-11(6-3-9)7-4-10;;/h2-7H2,1H3;1H;1H2