Compound C14H16BrCl2NO5S

2-[(2,2-dichloroacetyl)-[(4-methylsulfonylphenyl)methyl]amino]ethyl 2-bromoacetate

CAS: 3785-28-2

Molecular Formula	`C14H16BrCl2NO5S`
Molecular Weight	461.2 g/mol
LogP	2.5
Topological Polar Surface Area	89.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	9
Exact Mass	458.93097
Heavy Atoms	24
Complexity	530.0

Chemical Identifiers

CAS Number	3785-28-2
SMILES	`CS(=O)(=O)C1=CC=C(C=C1)CN(CCOC(=O)CBr)C(=O)C(Cl)Cl`
InChIKey	`NZOLBUNOTNPNKG-UHFFFAOYSA-N`

📖 Product Overview

Compound C14H16BrCl2NO5S (CAS: 3785-28-2) is a chemical compound with molecular formula C14H16BrCl2NO5S and molecular weight 461.2 g/mol. Its IUPAC systematic name is 2-[(2,2-dichloroacetyl)-[(4-methylsulfonylphenyl)methyl]amino]ethyl 2-bromoacetate. LogP 2.5 Topological Polar Surface Area 89.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 9 Exact Mass 458.93097 Heavy Atoms 24 Complexity 530.0 InChI Key: NZOLBUNOTNPNKG-UHFFFAOYSA-N. SMILES: CS(=O)(=O)C1=CC=C(C=C1)CN(CCOC(=O)CBr)C(=O)C(Cl)Cl.

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