UCSF

ZINC01420666

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 14 Yes

Popular Name: Ethyl 1H-indazole-5-carboxylate Ethyl 1H-indazole-5-carboxylate

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CAS Numbers: 192944-51-7 , N/A , [192944-51-7]

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) 2.15 0.13 -7.53 1 4 0 55 190.202 3 ↓
Mid Mid (pH 6-8) 2.15 0.14 -11.93 1 4 0 55 190.202 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 122-124? Alfa-Aesar
Melting_Point 122-124° Alfa-Aesar
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
PUBCHEM_PATENT_ID EP0939757A1; EP1054871A2; US5760028; WO1997023480A1; WO1999050249A2 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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