UCSF

ZINC00166267

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: methyl 3,4-dichlorobenzoate methyl 3,4-dichlorobenzoate

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CAS Numbers: 2905-68-2 , [2905-68-2]

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) 3.39 2.05 -4.18 0 2 0 26 205.04 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 44-46? Alfa-Aesar
Melting_Point 44-46° Alfa-Aesar
melting_point 46 - 48 KeyOrganics
MP 46-48° Matrix Scientific
MP 48-49° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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