UCSF

ZINC49588514

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 13 Yes

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 75567-84-9 , [75567-84-9]

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) 3.00 7.35 -5.39 0 2 0 26 243.1 4 ↓

Vendor Notes

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

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