UCSF

ZINC02576430

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 No

Popular Name: Methyl 5-Fluoro-2-nitrobenzoate Methyl 5-Fluoro-2-nitrobenzoate

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CAS Numbers: 393-85-1 , [393-85-1]

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) 2.34 6.32 -10.81 0 5 0 72 199.137 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 115° Oakwood Chemical
MP 25° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem

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