2-(3-Chlorophenyl)-6-methyl-4H-3,1-benzoxazin-4-one
Basic information
- CAS
106106-52-9- Standard SMILES
Cc1ccc2nc(-c3cccc(Cl)c3)oc(=O)c2c1- InChIKey
PIWAGCRVYCUFQK-UHFFFAOYSA-N- Molecular formula
- C15H10ClNO2
- Average molar mass
- 271.7 g/mol
- Monoisotopic mass
- 271.0400063
Names & identifiers
- Preferred name
- 2-(3-Chlorophenyl)-6-methyl-4H-3,1-benzoxazin-4-one
- IUPAC
- 2-(3-chlorophenyl)-6-methyl-3,1-benzoxazin-4-one
Names & synonyms
2-(3-chlorophenyl)-6-methyl-4H-3,1-benzoxazin-4-oneRefChem:455412106106-52-9666-889-8NSC246398SCHEMBL9147082-(3-chlorophenyl)-6-methyl-3,1-benzoxazin-4-onePIWAGCRVYCUFQK-UHFFFAOYSA-NAKOS024334859NSC-2463986-methyl-2-(m-chlorophenyl)-4H-3,1-benzoxazin-4-one
Database identifiers
- CAS
106106-52-9- PubChem CID
- 317080
- EC Number
- 666-889-8
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 396
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
1 records
Compound notes
Loading…