BRN 3016045

4-[[3-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]benzoic acid

CAS: 58278-31-2

Molecular Formula	`C17H18Cl2N2O4S`
Molecular Weight	417.3 g/mol
LogP	3.3
Topological Polar Surface Area	95.1 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	9
Exact Mass	416.03644
Heavy Atoms	26
Complexity	541.0

Chemical Identifiers

CAS Number	58278-31-2
SMILES	`C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)N(CCCl)CCCl`
InChIKey	`OGJGPDROOLZFIW-UHFFFAOYSA-N`

📖 Product Overview

BRN 3016045 (CAS: 58278-31-2) is a chemical compound with molecular formula C17H18Cl2N2O4S and molecular weight 417.3 g/mol. Its IUPAC systematic name is 4-[[3-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]benzoic acid. LogP 3.3 Topological Polar Surface Area 95.1 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 9 Exact Mass 416.03644 Heavy Atoms 26 Complexity 541.0 InChI Key: OGJGPDROOLZFIW-UHFFFAOYSA-N. SMILES: C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=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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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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