UCSF

ZINC35822743

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 13 Yes

Popular Name: 2-chloro-4-(trifluoromethyl)nicotinonitrile 2-chloro-4-(trifluoromethyl)nico…

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CAS Numbers: 896447-72-6 , [896447-72-6]

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) 2.25 4.26 -8.02 0 2 0 37 206.554 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
melting_point LMS KeyOrganics

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

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