Basic information
- CAS
20973-04-0- Standard SMILES
O=C1c2ccccc2OC(CCCl)N1c1ccccc1- InChIKey
QAGJSBYMKABUQQ-UHFFFAOYSA-N- Molecular formula
- C16H14ClNO2
- Average molar mass
- 287.74 g/mol
- Monoisotopic mass
- 287.0713064
Names & identifiers
- Preferred name
- 4H-1,3-Benzoxazin-4-one, 2-(2-chloroethyl)-2,3-dihydro-3-phenyl-
- IUPAC
- 2-(2-chloroethyl)-3-phenyl-2H-1,3-benzoxazin-4-one
Names & synonyms
20973-04-04H-1,3-BENZOXAZIN-4-ONE, 2-(2-CHLOROETHYL)-2,3-DIHYDRO-3-PHENYL-RefChem:10717902-(2-Chloroethyl)-2,3-dihydro-3-phenyl-4H-1,3-benzoxazin-4-oneBRN 1624417DTXSID009432662-(2-Chloroethyl)-3-phenyl-2,3-dihydro-4H-1,3-benzoxazin-4-one
Database identifiers
- CAS
20973-04-0- PubChem CID
- 30407
- DTXSID
DTXSID00943266- Nikkaji
- J67.826K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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