2-Furancarboxylic acid, 5-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-
5-[(4-bromo-3-nitropyrazol-1-yl)methyl]furan-2-carboxylic acid
Also Known As: 5-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxylic acid|5-((4-Bromo-3-nitro-1H-pyrazol-1-yl)methyl)furan-2-carboxylic acid|5-[(4-Bromo-3-nitro-1H-pyrazol-1-yl)methyl]-2-furoic acid|5-(4-Bromo-3-nitro-pyrazol-1-ylmethyl)-furan-2-carboxylic acid|AK-968/41170163|5-[(4-bromo-3-nitropyrazol-1-yl)methyl]furan-2-carboxylic acid|SR-01000086620-1|5-[(4-bromo-3-nitropyrazolyl)methyl]furan-2-carboxylic acid|2-Furancarboxylic acid, 5-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-|5-({4-bromo-3-nitro-1H-pyrazol-1-yl}methyl)-2-furoic acid|5-((4-Bromo-3-nitro-1H-pyrazol-1-yl)methyl)furan-2-carboxylicacid|5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]furan-2-carboxylic acid|2-Furancarboxylic acid, 5-((4-bromo-3-nitro-1H-pyrazol-1-yl)methyl)-
| Molecular Formula | C9H6BrN3O5 |
|---|---|
| Molecular Weight | 314.94907 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.94907 |
| Monoisotopic Mass | 314.94907 |
| Heavy Atoms | 18 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 512809-85-7 |
|---|---|
| SMILES | C1=C(OC(=C1)C(=O)O)CN2C=C(C(=N2)[N+](=O)[O-])Br |
| InChIKey | RLWQKLOXFLKEPV-UHFFFAOYSA-N |
Product Overview
2-Furancarboxylic acid, 5-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]- (CAS 512809-85-7), with molecular formula C9H6BrN3O5 and molecular weight 314.94907 g/mol. IUPAC: 5-[(4-bromo-3-nitropyrazol-1-yl)methyl]furan-2-carboxylic acid.