UCSF

ZINC02510727

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 4-Fluoro-3-methylbenzonitrile 4-Fluoro-3-methylbenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 185147-08-4 , N/A , [185147-08-4]

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) 2.23 3.6 -4.48 0 1 0 23 135.141 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 53-56? Alfa-Aesar
Melting_Point 53-56° Alfa-Aesar
MP 55 - 57 Enamine Building Blocks
MP 55...57 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings TOXIC Matrix Scientific

Activity (Go SEA)

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