UCSF

ZINC02564418

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 No

Popular Name: 3-Chloro-4-nitrobenzotrifluoride 3-Chloro-4-nitrobenzotrifluoride

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CAS Numbers: 402-11-9 , [402-11-9]

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 3.71 -5.33 0 3 0 45 225.553 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 54?/0.4mm Alfa-Aesar
BP 54°/0.4mm Matrix Scientific
Purity 97% Matrix Scientific
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.