Phenylacetic acid mustard

2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid

CAS: 10477-72-2

Molecular Formula	`C12H15Cl2NO2`
Molecular Weight	276.16 g/mol
LogP	2.7
Topological Polar Surface Area	40.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	7
Exact Mass	275.04797
Heavy Atoms	17
Complexity	225.0

Chemical Identifiers

CAS Number	10477-72-2
SMILES	`C1=CC(=CC=C1CC(=O)O)N(CCCl)CCCl`
InChIKey	`RQAFMLCWWGDNLI-UHFFFAOYSA-N`

📖 Product Overview

Phenylacetic acid mustard (CAS: 10477-72-2) is a chemical compound with molecular formula C12H15Cl2NO2 and molecular weight 276.16 g/mol. Its IUPAC systematic name is 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid. LogP 2.7 Topological Polar Surface Area 40.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 7 Exact Mass 275.04797 Heavy Atoms 17 Complexity 225.0 InChI Key: RQAFMLCWWGDNLI-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1CC(=O)O)N(CCCl)CCCl.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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