1-Adamantylmethyl 4-nitrobenzoate
1-adamantylmethyl 4-nitrobenzoate
Also Known As: 1-Adamantylmethyl 4-nitrobenzoate|adamantanylmethyl 4-nitrobenzoate|adamantan-1-ylmethyl 4-nitrobenzoate|1-Adamantylmethyl 4-nitrobenzoate #|4-Nitrobenzoic acid, 1-adamantylmethyl ester|NCGC00340935-01|AB01333162-02|tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl 4-nitrobenzoate|A3669/0155545
CAS: 698985-02-3
| Molecular Formula | C18H21NO4 |
|---|---|
| Molecular Weight | 315.14706 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.14706 |
| Monoisotopic Mass | 315.14706 |
| Heavy Atoms | 23 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 698985-02-3 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | GUHVKAPDQTZCNO-UHFFFAOYSA-N |
Product Overview
1-Adamantylmethyl 4-nitrobenzoate (CAS 698985-02-3), with molecular formula C18H21NO4 and molecular weight 315.14706 g/mol. IUPAC: 1-adamantylmethyl 4-nitrobenzoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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