BRN 3014782

3-[bis(2-chloroethyl)amino]-N-[4-(2-bromoacetyl)phenyl]-4-methylbenzamide

CAS: 70020-69-8

Molecular Formula	`C20H21BrCl2N2O2`
Molecular Weight	472.2 g/mol
LogP	4.9
Topological Polar Surface Area	49.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	9
Exact Mass	470.01636
Heavy Atoms	27
Complexity	481.0

Chemical Identifiers

CAS Number	70020-69-8
SMILES	`CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)CBr)N(CCCl)CCCl`
InChIKey	`JBZCGJYFIJGJEL-UHFFFAOYSA-N`

📖 Product Overview

BRN 3014782 (CAS: 70020-69-8) is a chemical compound with molecular formula C20H21BrCl2N2O2 and molecular weight 472.2 g/mol. Its IUPAC systematic name is 3-[bis(2-chloroethyl)amino]-N-[4-(2-bromoacetyl)phenyl]-4-methylbenzamide. LogP 4.9 Topological Polar Surface Area 49.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 9 Exact Mass 470.01636 Heavy Atoms 27 Complexity 481.0 InChI Key: JBZCGJYFIJGJEL-UHFFFAOYSA-N. SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)CBr)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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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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