UCSF

ZINC00167049

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 3-Iodobenzotrifluoride 3-Iodobenzotrifluoride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 401-81-0 , [401-81-0]

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) 3.89 2.53 -2.57 0 0 0 0 272.007 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 8? Alfa-Aesar
Melting_Point 8° Alfa-Aesar
BP 183 TCI
Boiling_Point 81-82?/24mm Alfa-Aesar
Boiling_Point 81-82°/24mm Alfa-Aesar
BP 82-83°/25mm Matrix Scientific
Purity 98% Matrix Scientific
Warnings Corrosive/Irritant Matrix Scientific
Warnings IRRITANT, CORROSIVE Matrix Scientific

Activity (Go SEA)

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

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