Basic information
- CAS
887976-00-3- Standard SMILES
O=C(O)c1ccc(-c2cccc([N+](=O)[O-])c2)nc1- InChIKey
QSABSMZRFLSDMP-UHFFFAOYSA-N- Molecular formula
- C12H8N2O4
- Average molar mass
- 244.2 g/mol
- Monoisotopic mass
- 244.04840674
Names & identifiers
- Preferred name
- 6-(3-Nitrophenyl)nicotinic acid
- IUPAC
- 6-(3-nitrophenyl)pyridine-3-carboxylic acid
- English name
- 6-(3-Nitrophenyl)-nicotinic acid
- Molecular formula
- C12H8N2O4
- Molecular weight
- 244.2
Names & synonyms
6-(3-NITROPHENYL)NICOTINIC ACID887976-00-33-Pyridinecarboxylicacid, 6-(3-nitrophenyl)-6-(3-NITROPHENYL)PYRIDINE-3-CARBOXYLIC ACIDMFCD06410409DTXSID60603152AB243846-(4-Nitrophenyl)-nicotinic acid6-(3-Nitrophenyl)-nicotinic acid3-Pyridinecarboxylic acid, 6-(3-nitrophenyl)-
Database identifiers
- CAS
887976-00-3- PubChem CID
- 20161279
- DTXSID
DTXSID60603152
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Boiling point
- 466.2 · 466.2±40.0 °C(Predicted)
- Density
- 1.417 · 1.417±0.06 g/cm3(Predicted)
- pka
- 3.27 · 3.27±0.10(Predicted)
Chemistry & industry
Suppliers3 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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