UCSF

ZINC02046231

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 8 No

Popular Name: Methyl 2-bromobutyrate Methyl 2-bromobutyrate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3196-15-4 , 69043-96-5 , N/A , [3196-15-4]

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) 1.78 4.33 -4.19 0 2 0 26 181.029 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 137-138?/50mm Alfa-Aesar
Boiling_Point 137-138°/50mm Alfa-Aesar
BP 172 TCI
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings Corrosive Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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