Basic information
- CAS
731002-00-9- Standard SMILES
Cc1cc(C(=O)CCl)c(C)n1CC1COc2ccccc2O1- InChIKey
GSFHOSYSNDVKNB-UHFFFAOYSA-N- Molecular formula
- C17H18ClNO3
- Average molar mass
- 319.8 g/mol
- Monoisotopic mass
- 319.0975211
Names & identifiers
- Preferred name
- 2-chloro-1-(1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one
- IUPAC
- 2-chloro-1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
Names & synonyms
731002-00-92-chloro-1-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one2-chloro-1-(1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-oneRefChem:468250999-712-02-chloro-1-[1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one2-chloro-1-[1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone2-chloro-1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone2-Chloro-1-[1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]ethanoneMLS000770482TAT-ENA-80bfd3e5-32CHEMBL1505548
Show more names
BDBM496505HMS2702I10AKOS030661735SMR000343718CS-0221266EN300-08741G38523SR-01000047679
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 405
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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