Dimethyl 3-(4-bromobenzoyl)-5-(2-pyridinyl)-1,2-indolizinedicarboxylate
Basic information
- CAS
203588-22-1- Standard SMILES
COC(=O)c1c(C(=O)OC)c2cccc(-c3ccccn3)n2c1C(=O)c1ccc(Br)cc1- InChIKey
STSUQVNETCRKIB-UHFFFAOYSA-N- Molecular formula
- C24H17BrN2O5
- Average molar mass
- 493.3 g/mol
- Monoisotopic mass
- 492.03208
Names & identifiers
- Preferred name
- Dimethyl 3-(4-bromobenzoyl)-5-(2-pyridinyl)-1,2-indolizinedicarboxylate
- IUPAC
- dimethyl 3-(4-bromobenzoyl)-5-pyridin-2-ylindolizine-1,2-dicarboxylate
Names & synonyms
203588-22-1dimethyl 3-(4-bromobenzoyl)-5-(2-pyridinyl)-1,2-indolizinedicarboxylateRefChem:588173632-784-0Dimethyl 3-(4-bromobenzoyl)-5-(pyridin-2-yl)indolizine-1,2-dicarboxylateAKOS024406600
Database identifiers
- CAS
203588-22-1- PubChem CID
- 4247675
- EC Number
- 632-784-0
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 711
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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