UCSF

ZINC00167684

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 No

Popular Name: 4-[(4-bromobenzyl)oxy]benzaldehyde 4-[(4-bromobenzyl)oxy]benzaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 149833-95-4 , [149833-95-4]

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) 4.19 1.05 -9.03 0 2 0 26 291.144 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 9.100000000000000e+001 - 9.300000000000000e+001 KeyOrganics
melting_point 91 - 93 KeyOrganics
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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