UCSF

ZINC15042932

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 11 Yes

Popular Name: 5-bromo-2-methyl-1,3-benzoxazole 5-bromo-2-methyl-1,3-benzoxazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5676-56-2 , [5676-56-2]

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) 2.74 2.77 -6.34 0 2 0 26 212.046 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 66 - 68 KeyOrganics
MP 66-68° Matrix Scientific
Purity 95% Fluorochem
Purity >95% 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.