7-chloro-2-[(E)-2-phenylethenyl]-4H-3,1-benzoxazin-4-one
Basic information
- CAS
40728-84-5- Standard SMILES
O=c1oc(/C=C/c2ccccc2)nc2cc(Cl)ccc12- InChIKey
MLSCGZMILBZZEH-RMKNXTFCSA-N- Molecular formula
- C16H10ClNO2
- Average molar mass
- 283.71 g/mol
- Monoisotopic mass
- 283.0400063
Names & identifiers
- Preferred name
- 7-chloro-2-[(E)-2-phenylethenyl]-4H-3,1-benzoxazin-4-one
- IUPAC
- 7-chloro-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one
Names & synonyms
7-chloro-2-[(E)-2-phenylethenyl]-4H-3,1-benzoxazin-4-oneNSC16352740728-84-5STK291490AKOS005428033NSC-163527SR-01000396298SR-01000396298-1
Database identifiers
- CAS
40728-84-5- PubChem CID
- 5961854
- Nikkaji
- J3.621.050H
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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