UCSF

ZINC00167238

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: Ethyl 2,4-difluorobenzoate Ethyl 2,4-difluorobenzoate

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CAS Numbers: 108928-00-3 , [108928-00-3]

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) 2.40 3.69 -6.78 0 2 0 26 186.157 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 65-67?/15mm Alfa-Aesar
Boiling_Point 65-67°/15mm Alfa-Aesar
Purity 97% Matrix Scientific
Warnings Flammable Matrix Scientific
Warnings IRRITANT, FLAMMABLE Matrix Scientific

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