UCSF

ZINC02586041

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 10 Yes

Popular Name: 2-Fluoro-6-hydroxybenzonitrile 2-Fluoro-6-hydroxybenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 140675-43-0 , [140675-43-0]

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) 1.75 2.1 -9.22 1 2 0 44 137.113 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 150 - 152 KeyOrganics
MP 154 - 156 Enamine Building Blocks
Melting_Point 154-158? Alfa-Aesar
Melting_Point 154-158° Alfa-Aesar
MP 154...156 Enamine Building Blocks
MP 155-157° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
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.