UCSF

ZINC01397430

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 19 Yes

Popular Name: 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid 5-methyl-1-[3-(trifluoromethyl)p…

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CAS Number: 103058-77-1

Other Names:

MFCD00172392

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) 1.58 2.69 -63.01 0 5 -1 70 270.19 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 173 - 175 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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