Dimethyl 3-(2-chlorobenzoyl)pyrrolo(2,1-A)isoquinoline-1,2-dicarboxylate
Basic information
- CAS
618443-45-1- Standard SMILES
COC(=O)c1c(C(=O)OC)c2c3ccccc3ccn2c1C(=O)c1ccccc1Cl- InChIKey
QYXZAIYVHQDJBR-UHFFFAOYSA-N- Molecular formula
- C23H16ClNO5
- Average molar mass
- 421.8 g/mol
- Monoisotopic mass
- 421.0717003
Names & identifiers
- Preferred name
- Dimethyl 3-(2-chlorobenzoyl)pyrrolo(2,1-A)isoquinoline-1,2-dicarboxylate
- IUPAC
- dimethyl 3-(2-chlorobenzoyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
Names & synonyms
DIMETHYL 3-(2-CHLOROBENZOYL)PYRROLO(2,1-A)ISOQUINOLINE-1,2-DICARBOXYLATERefChem:588166618443-45-1644-990-8AKOS024416404
Database identifiers
- CAS
618443-45-1- PubChem CID
- 3404445
- EC Number
- 644-990-8
- Nikkaji
- J3.621.752I
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 685
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
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Related reactions
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Compound notes
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