UCSF

ZINC02555690

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 17 Yes

Popular Name: 1-(2,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid 1-(2,5-dichlorophenyl)-5-methyl-…

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CAS Number: 338398-22-4

Other Names:

MFCD00172430

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) 2.21 7.87 -57.94 0 5 -1 71 271.083 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 190 - 192 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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