UCSF

ZINC00164683

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 9 No

Popular Name: 3-Fluorocatechol 3-Fluorocatechol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 363-52-0 , [363-52-0]

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) 1.34 -0.38 -7.32 2 2 0 40 128.102 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 71 - 73 Enamine Building Blocks
Mp [°C] 71 - 74 Acros Organics
Melting_Point 71-73? Alfa-Aesar
Melting_Point 71-73° Alfa-Aesar
MP 71...73 Enamine Building Blocks
MP 72 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 99% Matrix Scientific
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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

No pre-computed analogs available. Try a structural similarity search.