2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-2,2-dimethyl-
Basic information
- CAS
116337-60-1- Standard SMILES
CC1(C)Oc2cc(C(=O)c3ccccc3)ccc2NC1=O- InChIKey
NLLZZPGHXJYMGH-UHFFFAOYSA-N- Molecular formula
- C17H15NO3
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.10519334
Names & identifiers
- Preferred name
- 2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-2,2-dimethyl-
- IUPAC
- 7-benzoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one
Names & synonyms
BRN 59584282H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-2,2-dimethyl-7-Benzoyl-2,2-dimethyl-2H-1,4-benzoxazin-3(4H)-one116337-60-1DTXSID70151356RefChem:267994DTXCID8073847
Database identifiers
- CAS
116337-60-1- PubChem CID
- 3087779
- DTXSID
DTXSID70151356
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 426
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…