UCSF

ZINC02382363

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 12 Yes

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

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CAS Numbers: 261763-37-5 , [261763-37-5]

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 2.44 -51.13 0 2 -1 40 171.122 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 199-201? Alfa-Aesar
Melting_Point 199-201° Alfa-Aesar
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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