UCSF

ZINC02539344

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 No

Popular Name: trans-2,6-Difluorocinnamic acid trans-2,6-Difluorocinnamic acid

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CAS Numbers: 102082-89-3 , 147700-58-1 , 152152-09-5 , [102082-89-3]

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) 1.96 5.53 -54.46 0 2 -1 40 183.133 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 123 - 125 Enamine Building Blocks
Melting_Point 124-125? Alfa-Aesar
Melting_Point 124-125° Alfa-Aesar
MP 126 - 128 Enamine Building Blocks
MP 126...128 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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