UCSF

ZINC39275506

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 14 Yes

Popular Name: Ethyl 3-(4-bromophenyl)propanoate Ethyl 3-(4-bromophenyl)propanoate

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CAS Numbers: 40640-98-0 , [40640-98-0]

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) 3.37 8.27 -5.19 0 2 0 26 257.127 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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