UCSF

ZINC02575055

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 No

Popular Name: 3,4,5-Trifluorocinnamic acid 3,4,5-Trifluorocinnamic acid

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CAS Numbers: 152152-19-7 , [152152-19-7]

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) 2.26 3.3 -43.53 0 2 -1 40 201.123 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 195-199? Alfa-Aesar
Melting_Point 195-199° Alfa-Aesar
MP 197 - 199 Enamine Building Blocks
MP 197...199 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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