UCSF

ZINC02574981

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: 6-Chloro-2-fluoro-3-methylbenzoic acid 6-Chloro-2-fluoro-3-methylbenzoi…

Find On: PubMed — Wikipedia — Google

CAS Number: 32890-90-7

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 1.5 -55.81 0 2 -1 40 187.577 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 135-136? Alfa-Aesar
Melting_Point 135-136° Alfa-Aesar
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Rings

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