UCSF

ZINC19616029

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 12 Yes

Popular Name: 2,4-Difluoro-3-methylbenzoic acid 2,4-Difluoro-3-methylbenzoic acid

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CAS Numbers: 112857-68-8 , [112857-68-8]

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) 2.14 4.83 -46.78 0 2 -1 40 171.122 1 ↓
Hi High (pH 8-9.5) 0.73 9.31 -71.34 2 13 1 133 618.614 11 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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