UCSF

ZINC02568892

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 17 Yes

Popular Name: 3-Amino-3-(4-(trifluoromethoxy)phenyl)propanoic acid 3-Amino-3-(4-(trifluoromethoxy)p…

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CAS Number: 213192-56-4

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) -0.09 2.91 -42.73 3 4 0 77 249.188 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 241 - 243 KeyOrganics
Purity 97% Fluorochem
PUBCHEM_PATENT_ID WO2000048996A2; WO2000071572A1 IBM Patent Data

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