7-(2,6-Dichloro-4-nitrophenoxy)-2,2-dimethyl-2,3-dihydro-1-benzofuran
Basic information
- CAS
83054-15-3- Standard SMILES
CC1(C)Cc2cccc(Oc3c(Cl)cc([N+](=O)[O-])cc3Cl)c2O1- InChIKey
OQVOEMRETUJKMB-UHFFFAOYSA-N- Molecular formula
- C16H13Cl2NO4
- Average molar mass
- 354.2 g/mol
- Monoisotopic mass
- 353.0221633
Names & identifiers
- Preferred name
- 7-(2,6-Dichloro-4-nitrophenoxy)-2,2-dimethyl-2,3-dihydro-1-benzofuran
- IUPAC
- 7-(2,6-dichloro-4-nitrophenoxy)-2,2-dimethyl-3H-1-benzofuran
Names & synonyms
83054-15-37-(2,6-Dichloro-4-nitrophenoxy)-2,2-dimethyl-2,3-dihydrobenzofuranSCHEMBL10771209DTXSID40531681OQVOEMRETUJKMB-UHFFFAOYSA-N7-(2,6-Dichloro-4-nitrophenoxy)-2,2-dimethyl-2,3-dihydro-1-benzofuran3,5-Dichloro-4-(2,3-dihydro-2,2-dimethyl-7-benzofuranyloxy)-1-nitrobenzene
Database identifiers
- CAS
83054-15-3- PubChem CID
- 13245992
- DTXSID
DTXSID40531681
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 444
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Related reactions
4 records
Compound notes
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