UCSF

ZINC01706151

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 11 No

Popular Name: 3,5-Difluoronitrobenzene 3,5-Difluoronitrobenzene

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CAS Numbers: 2265-94-3 , [2265-94-3]

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) 2.15 3.2 -3.64 0 3 0 46 159.091 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 176-177? Alfa-Aesar
BP 176-177° Matrix Scientific
BP 177 TCI
Melting_Point 17? Alfa-Aesar
MP 17° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Purity 99% Fluorochem
Warnings IRRITANT, IRRITANT-HARMFUL Matrix Scientific
Warnings Irritant/Irritant-Harmful Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.