UCSF

ZINC01646572

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 No

Popular Name: 1-(2-Bromo-ethoxy)-4-methyl-benzene 1-(2-Bromo-ethoxy)-4-methyl-benzene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 18800-34-5 , [18800-34-5]

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) 3.18 0.63 -4.47 0 1 0 9 215.09 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 107-108°/8mm Oakwood Chemical
MP 37° Oakwood Chemical
MP 41 - 45 Enamine Building Blocks
MP 42 - 44 Enamine Building Blocks
MP 42...44 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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