UCSF

ZINC02598027

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 11 Yes

Popular Name: 2-Fluoro-4-methylbenzoic acid 2-Fluoro-4-methylbenzoic acid

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CAS Numbers: 74733-29-2 , 7697-23-6 , [7697-23-6]

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) 2.05 1.75 -53.94 0 2 -1 40 153.132 1 ↓

Vendor Notes

Note Type Comments Provided By
mp 183 - 185 MolMall (formerly Molecular Diversity Preservation International)
MP 185-187° Oakwood Chemical
MP 186 - 189 Enamine Building Blocks
Melting_Point 186-189? Alfa-Aesar
MP 186-189° Matrix Scientific
MP 186...189 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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