UCSF

ZINC02559205

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 18 No

Popular Name: Methyl 2-bromo-3-[4-(trifluoromethoxy)phenyl]-propionate Methyl 2-bromo-3-[4-(trifluorome…

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CAS Numbers: 175203-81-3 , [175203-81-3]

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) 3.67 3.38 -5.33 0 3 0 35 327.096 6 ↓

Vendor Notes

Note Type Comments Provided By
BP 100-104°/0.8mm Matrix Scientific
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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