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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 53408564Generated: October 31, 2026

ethyl 6-bromo-2-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate

Ethyl 2-(4-chloro-phenyl)-6-bromo-1,2,3,4-tetrahydro-isoquinoline-1-carboxylate · 1-Isoquinolinecarboxylic acid, 6-bromo-2-(4-chlorophenyl)-1,2,3,4-tetrahydro-, ethyl ester

https://huagongshe.com/en/chemical/53408564

ethyl 6-bromo-2-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate molecular structure

Identifiers & Physical Properties

CAS No.1260638-02-5
Molecular formulaC18H17BrClNO2
Average molar mass394.7 g/mol
Monoisotopic mass393.01312 g/mol
SMILESCCOC(=O)C1c2ccc(Br)cc2CCN1c1ccc(Cl)cc1
InChIKeyWPSGABOJUCWNPH-UHFFFAOYSA-N
PubChem CID53408564
DTXSIDDTXSID801121774

Chemical & Physical Properties

XLogP5.4
Topological polar surface area29.5
Hydrogen bond donors0
Hydrogen bond acceptors3
Rotatable bonds4
Heavy atoms23
Formal charge0
Complexity414
Boiling point493.6±45.0 °C(Predicted)
Density1.441±0.06 g/cm3(Predicted)
pKa (acidity coefficient)2.06±0.60(Predicted)