UCSF

ZINC02569407

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 22 No

Popular Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-2,2-dimethylpropanamide N-[3,5-bis(trifluoromethyl)pheny…

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CAS Numbers: 478261-82-4 , N/A

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) 4.60 5.08 -6.91 1 2 0 29 347.686 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 119 - 121 KeyOrganics
MP 119-121° Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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