Basic information
- CAS
352665-97-5- Standard SMILES
O=C1C2ON(c3ccccc3)C(c3cc(Br)ccc3O)C2C(=O)N1c1ccccc1- InChIKey
CTSDDQDYGXRWQH-UHFFFAOYSA-N- Molecular formula
- C23H17BrN2O4
- Average molar mass
- 465.3 g/mol
- Monoisotopic mass
- 464.03717
Names & identifiers
- Preferred name
- 3-(5-bromo-2-hydroxyphenyl)-2,5-diphenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
- IUPAC
- 3-(5-bromo-2-hydroxyphenyl)-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Names & synonyms
352665-97-53-(5-bromo-2-hydroxyphenyl)-2,5-diphenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione3-(5-bromo-2-hydroxyphenyl)-2,5-diphenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione3-(5-bromo-2-hydroxyphenyl)-2,5-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dioneOprea1_041715Oprea1_1324483-(5-bromo-2-hydroxyphenyl)-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dioneSTL020000AKOS000532138AKOS016318143CCG-105199EU-0036476
Show more names
ST50458571AB00092454-01SR-01000416643SR-01000416643-1Z56175606F0143-00173-(5-bromo-2-hydroxyphenyl)-2,5-diphenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione6-(5-bromo-2-hydroxyphenyl)-2,5-diphenyl-2,4,5,6,3a,6a-hexahydro-4-oxa-2,5-dia zapentalene-1,3-dione
Database identifiers
- CAS
352665-97-5- PubChem CID
- 2859645
- EC Number
- 158-484-5
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 664
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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