methyl 3-[bis(2-chloroethyl)amino]benzoate

CAS: 24830-50-0

Molecular Formula	`C12H15Cl2NO2`
Molecular Weight	276.16 g/mol
LogP	3.1
Topological Polar Surface Area	29.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	7
Exact Mass	275.04797
Heavy Atoms	17
Complexity	233.0

Chemical Identifiers

CAS Number	24830-50-0
SMILES	`COC(=O)C1=CC(=CC=C1)N(CCCl)CCCl`
InChIKey	`PTUQHLMPEYWOFY-UHFFFAOYSA-N`

📖 Product Overview

methyl 3-[bis(2-chloroethyl)amino]benzoate (CAS: 24830-50-0) is a chemical compound with molecular formula C12H15Cl2NO2 and molecular weight 276.16 g/mol. Its IUPAC systematic name is methyl 3-[bis(2-chloroethyl)amino]benzoate. LogP 3.1 Topological Polar Surface Area 29.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 7 Exact Mass 275.04797 Heavy Atoms 17 Complexity 233.0 InChI Key: PTUQHLMPEYWOFY-UHFFFAOYSA-N. SMILES: COC(=O)C1=CC(=CC=C1)N(CCCl)CCCl.

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