BRN 4029225

2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(4-chlorophenyl)propanoic acid

CAS: 55327-81-6

Molecular Formula	`C21H23Cl3N2O3`
Molecular Weight	457.8 g/mol
LogP	4.7
Topological Polar Surface Area	69.6 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	11
Exact Mass	456.07742
Heavy Atoms	29
Complexity	501.0

Chemical Identifiers

CAS Number	55327-81-6
SMILES	`C1=CC(=CC=C1CC(C(=O)O)NC(=O)CC2=CC=C(C=C2)N(CCCl)CCCl)Cl`
InChIKey	`XJRKDTNXNNSYTM-UHFFFAOYSA-N`

📖 Product Overview

BRN 4029225 (CAS: 55327-81-6) is a chemical compound with molecular formula C21H23Cl3N2O3 and molecular weight 457.8 g/mol. Its IUPAC systematic name is 2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(4-chlorophenyl)propanoic acid. LogP 4.7 Topological Polar Surface Area 69.6 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 11 Exact Mass 456.07742 Heavy Atoms 29 Complexity 501.0 InChI Key: XJRKDTNXNNSYTM-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1CC(C(=O)O)NC(=O)CC2=CC=C(C=C2)N(CCCl)CCCl)Cl.

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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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