2-Amino-4-(5-bromo-furan-2-YL)-5-oxo-4H,5H-pyrano[3,2-C]chromene-3-carbonitrile
Basic information
- CAS
709617-74-3- Standard SMILES
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccc(Br)o1- InChIKey
QHCGLHQLCUOLLQ-UHFFFAOYSA-N- Molecular formula
- C17H9BrN2O4
- Average molar mass
- 385.2 g/mol
- Monoisotopic mass
- 383.97457
Names & identifiers
- Preferred name
- 2-Amino-4-(5-bromo-furan-2-YL)-5-oxo-4H,5H-pyrano[3,2-C]chromene-3-carbonitrile
- IUPAC
- 2-amino-4-(5-bromofuran-2-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
- English name
- 2-Amino-4-(5-bromo-furan-2-yl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile
- Molecular weight
- 0
Names & synonyms
AKOS024325923ST504485852-amino-4-(5-bromo(2-furyl))-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile2-AMINO-4-(5-BROMO-FURAN-2-YL)-5-OXO-4H,5H-PYRANO[3,2-C]CHROMENE-3-CARBONITRILE
Database identifiers
- CAS
709617-74-3- PubChem CID
- 4601007
- EC Number
- 151-376-9
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 98.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 692
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Compound notes
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