Basic information
- CAS
1023875-60-6- Standard SMILES
CC1(C)Cc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2O1- InChIKey
IZKKSDBAJLZDOU-UHFFFAOYSA-N- Molecular formula
- C16H15NO4
- Average molar mass
- 285.29 g/mol
- Monoisotopic mass
- 285.10010796
Names & identifiers
- Preferred name
- 2,2-Dimethyl-7-(4-nitrophenoxy)-2,3-dihydro-1-benzofuran
- IUPAC
- 2,2-dimethyl-7-(4-nitrophenoxy)-3H-1-benzofuran
- English name
- 2,2-dimethyl-7-(4-nitrophenoxy)-2,3-dihydro-1-benzofuran
- Molecular formula
- C16H15NO4
- Molecular weight
- 285.2946
Names & synonyms
1023875-60-62,2-dimethyl-7-(4-nitrophenoxy)-2,3-dihydro-1-benzofuran2,2-dimethyl-7-(4-nitrophenoxy)-3H-1-benzofuranMFCD001710052,2-dimethyl-7-(4-nitrophenoxy)-3H-benzofuranSCHEMBL109645994-(2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))-1-NITROBENZENEYQB87560AKOS005110552MS-67222,2-Dimethyl-7-(4-nitrophenoxy)-2,3-dihydrobenzofuranBenzofuran, 2,3-dihydro-2,2-dimethyl-7-(4-nitrophenoxy)-
Database identifiers
- CAS
1023875-60-6- PubChem CID
- 4453122
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 384
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
BIONET-INTER[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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