UCSF

ZINC04208887

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 11 Yes

Popular Name: 2-Fluoro-6-methylbenzoic acid 2-Fluoro-6-methylbenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 90259-27-1 , [90259-27-1]

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 1.62 -56.88 0 2 -1 40 153.132 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 114 - 116 Enamine Building Blocks
MP 114...116 Enamine Building Blocks
MP 124-125° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
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.