UCSF

ZINC04334627

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 13 No

Popular Name: 3-(Difluoromethoxy)nitrobenzene 3-(Difluoromethoxy)nitrobenzene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 222-07-3 , 22236-07-3 , [22236-07-3]

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) 2.49 2.73 -7.45 0 4 0 55 189.117 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 240-242? Alfa-Aesar
Boiling_Point 240-242° Alfa-Aesar
BP 83 / 1 TCI
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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