UCSF

ZINC02170136

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 21 No

Popular Name: Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate Benzyl 2-chloro-4-(trifluorometh…

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CAS Numbers: 175137-29-8 , [175137-29-8]

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) 3.55 2.53 -5.82 0 4 0 52 316.666 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 45-47° Matrix Scientific
Purity 95% Fluorochem
Warnings Irritant Matrix Scientific

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

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