UCSF

ZINC12336509

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 18 Yes

Popular Name: {1-[3-(trifluoromethyl)benzyl]-1H-1,2,3-triazol-4-yl}methanol {1-[3-(trifluoromethyl)benzyl]-1…

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CAS Numbers: 952183-25-4 , 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) 1.90 1.33 -10.43 1 4 0 51 257.215 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 73 - 74 KeyOrganics
MP 73-74° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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