Basic information
- CAS
37483-68-4- Standard SMILES
O=CNC1CCCOc2cc(Cl)ccc21- InChIKey
MHQXOVNDUKNURB-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO2
- Average molar mass
- 225.67 g/mol
- Monoisotopic mass
- 225.0556563
Names & identifiers
- Preferred name
- N-(8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide
- IUPAC
- N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide
Names & synonyms
N-(8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide37483-68-4Formamide, N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-RefChem:1091381BRN 13773045-Formamido-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin5-18-09-00641 (Beilstein Handbook Reference)DTXSID50958582(8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanimidic acid
Database identifiers
- CAS
37483-68-4- PubChem CID
- 216604
- DTXSID
DTXSID50958582
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…