1-(5-Chloro-2-methoxyphenyl)-1H-pyrrole-2,5-dione
Completing data — refresh the page later to see the latest
Basic information
- CAS
39900-81-7- Standard SMILES
COc1ccc(Cl)cc1N1C(=O)C=CC1=O- InChIKey
KRYUCWYKHXDVIC-UHFFFAOYSA-N- Molecular formula
- C11H8ClNO3
- Average molar mass
- 237.64 g/mol
- Monoisotopic mass
- 237.0192708
Names & identifiers
- Preferred name
- 1-(5-Chloro-2-methoxyphenyl)-1H-pyrrole-2,5-dione
- IUPAC
- 1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione
- English name
- 1-(5-CHLORO-2-METHOXY-PHENYL)-PYRROLE-2,5-DIONE
- Molecular formula
- C11H8ClNO3
- Molecular weight
- 237.64
Names & synonyms
39900-81-71-(5-chloro-2-methoxyphenyl)-1H-pyrrole-2,5-dioneDTXSID50351832RefChem:225723DTXCID403028981-(5-Chloro-2-methoxy-phenyl)-pyrrole-2,5-dione1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione1-(5-chloro-2-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dioneMFCD001765731H-Pyrrole-2,5-dione, 1-(5-chloro-2-methoxyphenyl)-Cyto9D8SCHEMBL9154820
Show more names
1-(5-chloro-2-methoxy-phenyl)-3-pyrroline-2,5-quinone
ALBB-017519BBL003780SBB082528STK282279AKOS000116783VS-01420CS-0307643EU-0029088
Database identifiers
- CAS
39900-81-7- PubChem CID
- 711046
- DTXSID
DTXSID50351832
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- 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
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…