CID 6804814
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Basic information
- CAS
442664-60-0- Standard SMILES
Cc1ccc(C(=O)C=C2Nc3cc(Cl)ccc3OC2=O)cc1- InChIKey
DRKXWTOJRDHAIT-UHFFFAOYSA-N- Molecular formula
- C17H12ClNO3
- Average molar mass
- 313.7 g/mol
- Monoisotopic mass
- 313.0505709
Names & identifiers
- Preferred name
- CID 6804814
- IUPAC
- 6-chloro-3-[2-(4-methylphenyl)-2-oxoethylidene]-4H-1,4-benzoxazin-2-one
- English name
- 6-chloro-3-[2-(4-methylphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
- Molecular formula
- C17H12ClNO3
- Molecular weight
- 313.74
Names & synonyms
6-chloro-3-[2-(4-methylphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one2H-1,4-Benzoxazin-2-one, 6-chloro-3,4-dihydro-3-[2-(4-methylphenyl)-2-oxoethylidene]-
Database identifiers
- CAS
442664-60-0- PubChem CID
- 6804814
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
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Compound notes
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