UCSF

ZINC71790185

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 12 No

Popular Name: 2,5-Dichloro-4-(trifluoromethyl)pyrimidine 2,5-Dichloro-4-(trifluoromethyl)…

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CAS Numbers: 785777-98-2 , [785777-98-2]

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) 2.97 3.75 -3.53 0 2 0 26 216.977 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Rings

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

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