Basic information
- CAS
20978-98-7- Standard SMILES
O=C1c2ccccc2OCN1c1ccc(Cl)cc1- InChIKey
ISMBHSCIMJVEOX-UHFFFAOYSA-N- Molecular formula
- C14H10ClNO2
- Average molar mass
- 259.69 g/mol
- Monoisotopic mass
- 259.0400063
Names & identifiers
- Preferred name
- 4H-1,3-Benzoxazin-4-one, 3-(p-chlorophenyl)-2,3-dihydro-
- IUPAC
- 3-(4-chlorophenyl)-2H-1,3-benzoxazin-4-one
- English name
- 3-(4-Chlorophenyl)-2H-1,3-benzoxazin-4(3H)-one
- Molecular formula
- C14H10ClNO2
- Molecular weight
- 259.69
Names & synonyms
BRN 158122120978-98-74H-1,3-BENZOXAZIN-4-ONE, 3-(p-CHLOROPHENYL)-2,3-DIHYDRO-DTXSID401751803-(p-Chlorophenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-oneRefChem:297036DTXCID40976713-(4-Chlorophenyl)-2H-1,3-benzoxazin-4(3H)-one3-(4-Chlorophenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one4H-1,3-Benzoxazin-4-one, 3-(4-chlorophenyl)-2,3-dihydro-
Database identifiers
- CAS
20978-98-7- PubChem CID
- 30432
- DTXSID
DTXSID40175180- Nikkaji
- J67.827I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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