UCSF

ZINC14989290

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 10 Yes

Popular Name: 3-Amino-4-fluorobenzonitrile 3-Amino-4-fluorobenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 63069-50-1 , 859855-53-1 , [859855-53-1]

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) 1.27 2.86 -4.9 2 2 0 50 136.129 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 90-91° Oakwood Chemical
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific
Warnings Toxic Matrix Scientific

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

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