Basic information
- Standard SMILES
CC1(C)OC(=O)Nc2ccc(-c3cc(Cl)cc(C#N)c3)cc21- InChIKey
NTBMICWLTLYFGW-UHFFFAOYSA-N- Molecular formula
- C17H13ClN2O2
- Average molar mass
- 312.7 g/mol
Names & identifiers
- Preferred name
- 3-chloro-5-(4,4-dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)benzonitrile
- IUPAC
- 3-chloro-5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)benzonitrile
Names & synonyms
SCHEMBL3874002NTBMICWLTLYFGW-UHFFFAOYSA-N3-chloro-5-(4,4-dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)benzonitrile
Database identifiers
- PubChem CID
- 9879808
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 498
Related reactions
3 records
Compound notes
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