UCSF

ZINC00167035

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 Yes

Popular Name: Methyl 2-chlorobenzoate Methyl 2-chlorobenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 610-96-8 , N/A , [610-96-8]

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) 2.40 2.16 -7.29 0 2 0 26 170.595 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 230 TCI
M.P 233-235 °C Indofine
Boiling_Point 233-235? Alfa-Aesar
Boiling_Point 233-235° Alfa-Aesar
BP 234° Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.