UCSF

ZINC04977180

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 13 Yes

Popular Name: 3,4-Difluorohydrocinnamic acid 3,4-Difluorohydrocinnamic acid

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CAS Numbers: 161712-75-0 , [161712-75-0]

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) 2.14 2.59 -43.71 0 2 -1 40 185.149 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 49-53? Alfa-Aesar
Melting_Point 49-53° Alfa-Aesar
MP 51 - 53 Enamine Building Blocks
MP 51...53 Enamine Building Blocks
MP 52 - 53 Enamine Building Blocks
MP 53 - 53 Enamine Building Blocks
MP 53 - 55 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem

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