UCSF

ZINC00403512

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: Ethyl 2-chlorobenzoate Ethyl 2-chlorobenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 7335-25-3 , [7335-25-3]

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) 2.78 2.13 -7.06 0 2 0 26 184.622 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 243 TCI
Boiling_Point 243? Alfa-Aesar
Boiling_Point 243° Alfa-Aesar
Purity 95% Fluorochem
PUBCHEM_PATENT_ID WO2000061569A1 IBM Patent Data

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