UCSF

ZINC01626900

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 No

Popular Name: 4-(2-Bromoethoxy)Benzaldehyde 4-(2-Bromoethoxy)Benzaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 52191-15-8 , [52191-15-8]

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) 2.52 0.73 -8.34 0 2 0 26 229.073 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 6.100000000000000e+001 - 6.400000000000000e+001 KeyOrganics
melting_point 61 - 64 KeyOrganics
MP 61-64° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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