UCSF

ZINC03041690

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 15 Yes

Popular Name: methyl 1-chloro-4-isoquinolinecarboxylate methyl 1-chloro-4-isoquinolineca…

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CAS Numbers: 37497-86-2 , [37497-86-2]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.66 1.38 -6.18 0 3 0 39 221.643 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 88 - 90 KeyOrganics
MP 88-90° Oakwood Chemical
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )