UCSF

ZINC00057077

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 13 No

Popular Name: 5-Bromo-2-fluorocinnamic acid 5-Bromo-2-fluorocinnamic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 202865-71-2 , 744240-66-2 , [202865-71-2]

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) 2.63 1.05 -48.76 0 2 -1 40 244.039 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 193 - 195 Enamine Building Blocks
Melting_Point 193-196? Alfa-Aesar
Melting_Point 193-196° Alfa-Aesar
MP 193...195 Enamine Building Blocks
MP 194-196° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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