4-(Iodomethyl)-2,4-dimethyl-4H-3,1-benzoxazine
Basic information
- CAS
958261-69-3- Standard SMILES
CC1=Nc2ccccc2C(C)(CI)O1- InChIKey
KHAVWFJWGZWFDZ-UHFFFAOYSA-N- Molecular formula
- C11H12INO
- Average molar mass
- 301.12 g/mol
- Monoisotopic mass
- 300.99636
Names & identifiers
- Preferred name
- 4-(Iodomethyl)-2,4-dimethyl-4H-3,1-benzoxazine
- IUPAC
- 4-(iodomethyl)-2,4-dimethyl-3,1-benzoxazine
Names & synonyms
4-(Iodomethyl)-2,4-dimethyl-4H-3,1-benzoxazine958261-69-3DTXSID901249272
Database identifiers
- CAS
958261-69-3- PubChem CID
- 102380331
- DTXSID
DTXSID901249272- Nikkaji
- J2.501.236D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…