UCSF

ZINC00155946

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 12 Yes

Popular Name: 4-Chloro-2-methoxybenzoic acid 4-Chloro-2-methoxybenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 57479-70-6 , [57479-70-6]

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) 2.59 1.12 -50.59 0 3 -1 49 185.586 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 145-148? Alfa-Aesar
Melting_Point 145-148° Alfa-Aesar
MP 146 - 148 Enamine Building Blocks
MP 146-148° Oakwood Chemical
MP 146...148 Enamine Building Blocks
MP 148 TCI
BP 314-315° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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