Basic information
- CAS
512809-43-7- Standard SMILES
O=Cc1ccc(Cn2cc([N+](=O)[O-])cn2)o1- InChIKey
IORXPXHWLUWMKB-UHFFFAOYSA-N- Molecular formula
- C9H7N3O4
- Average molar mass
- 221.17 g/mol
- Monoisotopic mass
- 221.04365571
Names & identifiers
- Preferred name
- 5-((4-Nitro-1H-pyrazol-1-yl)methyl)-2-furancarboxaldehyde
- IUPAC
- 5-[(4-nitropyrazol-1-yl)methyl]furan-2-carbaldehyde
- English name
- 5-(4-Nitro-pyrazol-1-ylmethyl)-furan-2-carbaldehyde
- Molecular formula
- C9H7N3O4
- Molecular weight
- 221.17
Names & synonyms
512809-43-75-[(4-Nitro-1H-pyrazol-1-yl)methyl]-2-furancarboxaldehyde5-((4-Nitro-1H-pyrazol-1-yl)methyl)-2-furancarboxaldehydeRefChem:2991455-(4-Nitro-pyrazol-1-ylmethyl)-furan-2-carbaldehyde5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbaldehyde5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furaldehyde5-[(4-nitropyrazol-1-yl)methyl]furan-2-carbaldehyde5-((4-Nitro-1H-pyrazol-1-yl)methyl)furan-2-carbaldehydeMFCD030744275-[(4-nitropyrazolyl)methyl]furan-2-carbaldehyde5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furaldehyde
Show more names
AKOS B006556ART-CHEM-BB B0065562-Furancarboxaldehyde, 5-[(4-nitro-1H-pyrazol-1-yl)methyl]-
SCHEMBL1166273IORXPXHWLUWMKB-UHFFFAOYSA-NDTXSID801195561MVA80943SBB017348STK301605AKOS000308047AKOS015922357
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 93.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
Safety & regulation
Safety data
- risk_code
- 43
- safety_code
- 36/37
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
4 records
Compound notes
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