UCSF

ZINC01699453

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 No

Popular Name: 3-Fluorocinnamic acid 3-Fluorocinnamic acid

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CAS Numbers: 20595-30-6 , 458-46-8 , [20595-30-6] , [458-46-8]

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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) 2.05 1.84 -47.55 0 2 -1 40 165.143 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 165-168? Alfa-Aesar
Melting_Point 165-168° Alfa-Aesar
MP 166 TCI
MP 166-167° Matrix Scientific
MP 167 - 170 Enamine Building Blocks
MP 167...170 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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