(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl) 3,4-dichlorobenzoate

CAS: 57464-39-8

Molecular Formula	`C17H21Cl2NO2`
Molecular Weight	342.3 g/mol
LogP	4.6
Topological Polar Surface Area	29.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	341.09494
Heavy Atoms	22
Complexity	406.0

Chemical Identifiers

CAS Number	57464-39-8
SMILES	`CN1CCC2CC(CCC2C1)OC(=O)C3=CC(=C(C=C3)Cl)Cl`
InChIKey	`AJOVZKGFRZEWHS-UHFFFAOYSA-N`

📖 Product Overview

(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl) 3,4-dichlorobenzoate (CAS: 57464-39-8) is a chemical compound with molecular formula C17H21Cl2NO2 and molecular weight 342.3 g/mol. Its IUPAC systematic name is (2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl) 3,4-dichlorobenzoate. LogP 4.6 Topological Polar Surface Area 29.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 3 Exact Mass 341.09494 Heavy Atoms 22 Complexity 406.0 InChI Key: AJOVZKGFRZEWHS-UHFFFAOYSA-N. SMILES: CN1CCC2CC(CCC2C1)OC(=O)C3=CC(=C(C=C3)Cl)Cl.

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for (2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl) 3,4-dichlorobenzoate.

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