UCSF

ZINC02040689

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 13 No

Popular Name: 2-Nitrobenzotrifluoride 2-Nitrobenzotrifluoride

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CAS Numbers: 384-22-5 , [384-22-5]

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) 2.74 3.58 -10.94 0 3 0 46 191.108 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 104-105°/20mm Oakwood Chemical
MP 31-32° Oakwood Chemical
Purity 97% Matrix Scientific
Purity 99% Fluorochem
Warnings IRRITANT Matrix Scientific

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