UCSF

ZINC01085585

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 13 No

Popular Name: Methyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate Methyl (3-nitro-1H-1,2,4-triazol…

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CAS Numbers: 70965-23-0 , [70965-23-0]

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) -0.40 7.06 -20.99 0 8 0 103 186.127 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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