Basic information
- CAS
297162-28-8- Standard SMILES
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1ccccc1I- InChIKey
IHFRGKPVVDKUDD-UHFFFAOYSA-N- Molecular formula
- C18H17IN2O2
- Average molar mass
- 420.2 g/mol
- Monoisotopic mass
- 420.03348
Names & identifiers
- Preferred name
- 2-amino-4-(2-iodophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
- IUPAC
- 2-amino-4-(2-iodophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
- English name
- 2-amino-4-(2-iodophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
- Molecular formula
- C18H17IN2O2
- Molecular weight
- 420.24425
Names & synonyms
2-amino-4-(2-iodophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile2-amino-4-(2-iodophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrileSTK746465AKOS001708849AKOS022010890ST45321625AG-205/33137018SR-01000507113SR-01000507113-1
Database identifiers
- CAS
297162-28-8- PubChem CID
- 3715839
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 653
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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