[4-[(2,2-dichloroacetyl)-methylamino]phenyl] 4-methylsulfonylbenzoate

CAS: 3686-72-4

Molecular Formula	`C17H15Cl2NO5S`
Molecular Weight	416.3 g/mol
LogP	3.3
Topological Polar Surface Area	89.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	415.0048
Heavy Atoms	26
Complexity	603.0

Chemical Identifiers

CAS Number	3686-72-4
SMILES	`CN(C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)C(Cl)Cl`
InChIKey	`NTOUTGFXPUCTLK-UHFFFAOYSA-N`

📖 Product Overview

[4-[(2,2-dichloroacetyl)-methylamino]phenyl] 4-methylsulfonylbenzoate (CAS: 3686-72-4) is a chemical compound with molecular formula C17H15Cl2NO5S and molecular weight 416.3 g/mol. Its IUPAC systematic name is [4-[(2,2-dichloroacetyl)-methylamino]phenyl] 4-methylsulfonylbenzoate. LogP 3.3 Topological Polar Surface Area 89.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 415.0048 Heavy Atoms 26 Complexity 603.0 InChI Key: NTOUTGFXPUCTLK-UHFFFAOYSA-N. SMILES: CN(C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)C(Cl)Cl.

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