UCSF

ZINC00142202

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 11 Yes

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

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CAS Numbers: 315-31-1 , [315-31-1]

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 1.71 -55.12 0 2 -1 40 153.132 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 112-118° Oakwood Chemical
Melting_Point 114-116? Alfa-Aesar
Melting_Point 114-116° Alfa-Aesar
mp 117 - 118 MolMall (formerly Molecular Diversity Preservation International)
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem

Activity (Go SEA)

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