Basic information
- CAS
21977-12-8- Standard SMILES
Clc1ccc2c(c1)CONC2- InChIKey
GQLHUUBKEQARIM-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO
- Average molar mass
- 169.61 g/mol
- Monoisotopic mass
- 169.0294416
Names & identifiers
- Preferred name
- 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-
- IUPAC
- 7-chloro-3,4-dihydro-1H-2,3-benzoxazine
- English name
- 7-Chloro-3,4-dihydro-1H-2,3-benzoxazine
- Molecular weight
- 0
Names & synonyms
7-Chloro-3,4-dihydro-1H-2,3-benzoxazineBRN 110355821977-12-81H-2,3-BENZOXAZINE, 3,4-DIHYDRO-7-CHLORO-1H-2,3-Benzoxazine, 7-chloro-3,4-dihydro-DTXSID30176383RefChem:237280DTXCID7098874
Database identifiers
- CAS
21977-12-8- PubChem CID
- 30880
- DTXSID
DTXSID30176383- Nikkaji
- J41.922B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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