UCSF

ZINC02509218

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 No

Popular Name: 2-[1,2,4]Triazol-1-yl-benzaldehyde 2-[1,2,4]Triazol-1-yl-benzaldehyde

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CAS Numbers: 138479-53-5 , [138479-53-5]

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) 0.69 7.09 -10.49 0 4 0 48 173.175 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 110 - 113 KeyOrganics
MP 110-113° Matrix Scientific
MP 113 - 115 Enamine Building Blocks
MP 113...115 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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