UCSF

ZINC16125829

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 10 Yes

Popular Name: 4-Amino-2-fluorobenzonitrile 4-Amino-2-fluorobenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 53312-80-4 , 54494-74-5 , [53312-80-4]

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) 0.86 2.79 -7.97 2 2 0 50 136.129 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 103-105° Oakwood Chemical
MP 106-108° Matrix Scientific
Purity 97% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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