UCSF

ZINC00389630

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 11 Yes

Popular Name: 3-Fluoro-2-methylbenzoic acid 3-Fluoro-2-methylbenzoic acid

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CAS Numbers: 699-90-1 , 99-90-1 , [699-90-1]

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) 2.03 1.67 -46.29 0 2 -1 40 153.132 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 157-159° Oakwood Chemical
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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

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