UCSF

ZINC00166451

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 Yes

Popular Name: methyl 2-fluorobenzoate methyl 2-fluorobenzoate

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CAS Numbers: 394-35-4 , N/A , [394-35-4]

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) 1.89 5.18 -9.26 0 2 0 26 154.14 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 102 / 20.3 TCI
Boiling_Point 109-110?/35mm Alfa-Aesar
Boiling_Point 109-110°/35mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings Flammable Matrix Scientific
Warnings IRRITANT, FLAMMABLE Matrix Scientific

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