UCSF

ZINC00057136

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 No

Popular Name: 5-Chloro-2-nitrobenzotrifluoride 5-Chloro-2-nitrobenzotrifluoride

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CAS Numbers: 118-83-2 , [118-83-2]

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) 3.40 3.43 -7.08 0 3 0 45 225.553 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 21-22? Alfa-Aesar
Melting_Point 21-22° Alfa-Aesar
Boiling_Point 222-224? Alfa-Aesar
Boiling_Point 222-224° Alfa-Aesar
BP 224 TCI
Purity 98% Matrix Scientific
Purity 99% Fluorochem
Warnings TOXIC Matrix Scientific

Activity (Go SEA)

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