UCSF

ZINC02516094

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 115661-37-5 , 63069-50-1 , [63069-50-1]

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 -6.09 2 2 0 50 136.129 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 84-86° Oakwood Chemical
Melting_Point 87-90? Alfa-Aesar
Melting_Point 87-90° Alfa-Aesar
MP 88 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT, TOXIC Matrix Scientific
Warnings Toxic/Irritant Matrix Scientific

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

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