Basic information
- CAS
623553-27-5- Standard SMILES
O=C1c2ccccc2C(=O)N1CCc1nc2ccccc2o1- InChIKey
OGNSHTKXWDPCCK-UHFFFAOYSA-N- Molecular formula
- C17H12N2O3
- Average molar mass
- 292.29 g/mol
- Monoisotopic mass
- 292.08479225
Names & identifiers
- Preferred name
- 2-[2-(1,3-benzoxazol-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-[2-(1,3-benzoxazol-2-yl)ethyl]isoindole-1,3-dione
- English name
- 2-[2-(1,3-Benzoxazol-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione
- Molecular formula
- C17H12N2O3
- Molecular weight
- 292.29
Names & synonyms
623553-27-52-[2-(1,3-benzoxazol-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione2-(2-(Benzo[d]oxazol-2-yl)ethyl)isoindoline-1,3-dione2-[2-(1,3-benzoxazol-2-yl)ethyl]isoindole-1,3-dioneMFCD005234392-[2-(1,3-benzoxazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dioneSTK8322221H-Isoindole-1,3(2H)-dione, 2-[2-(2-benzoxazolyl)ethyl]-SCHEMBL4906117DTXSID10469962ALBB-014346AKOS005174347
Show more names
2-[2-(1,3-benzoxazol-2-yl)ethyl]isoindoline-1,3-quinone
LS-04522CS-0326842H306912-[2-(1,3-benzoxazol-2-yl)ethyl]isoindoline-1,3-dione
Database identifiers
- CAS
623553-27-5- PubChem CID
- 11645002
- DTXSID
DTXSID10469962
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P332+P313-P362+P364
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315
- Precautionary statements
- P264-P280-P302+P352-P332+P313-P362+P364
Chemistry & industry
Suppliers1 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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