1-(2H-1-Benzopyran-3-ylcarbonyl)-2(1H)-pyridinimine
Basic information
- CAS
83823-12-5- Standard SMILES
N=c1ccccn1C(=O)C1=Cc2ccccc2OC1- InChIKey
DAHLWJQFCJLBTE-UHFFFAOYSA-N- Molecular formula
- C15H12N2O2
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.08987763
Names & identifiers
- Preferred name
- 1-(2H-1-Benzopyran-3-ylcarbonyl)-2(1H)-pyridinimine
- IUPAC
- 2H-chromen-3-yl-(2-imino-1-pyridinyl)methanone
Names & synonyms
7P9D6G8G4W1-(2H-1-Benzopyran-3-ylcarbonyl)-2(1H)-pyridinimineNSC 147903BRN 447022983823-12-5UNII-7P9D6G8G4W2(1H)-Pyridinimine, 1-(2H-1-benzopyran-3-ylcarbonyl)-NSC-147903METHANONE, 2H-1-BENZOPYRAN-3-YL(2-IMINO-1(2H)-PYRIDINYL)-RefChem:196920NSC147903
Database identifiers
- CAS
83823-12-5- PubChem CID
- 98555
- UNII
- 7P9D6G8G4W
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 490
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Compound notes
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