tert-butyl 3-nitrobenzoate (CAS 58656-99-8) — formula C11H13NO4, molecular weight 223.22; category organic chemicals.
| CAS Number | 58656-99-8 |
|---|---|
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.22 |
| LogP | 2.9 |
| Category | Organic Chemicals |
tert-butyl 3-nitrobenzoate is a carbon-based organic compound with CAS registry number 58656-99-8 and molecular formula C11H13NO4 (molecular weight 223.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 58656-99-8
Its molecular formula C11H13NO4 comprises 11 C, 13 H, 1 N, 4 O atoms.
Also known as: tert-butyl 3-nitrobenzoate · 3-硝基苯甲酸叔丁酯
Category: organic chemicals
The CAS registry number of tert-butyl 3-nitrobenzoate is 58656-99-8.
Molecular formula C11H13NO4, molecular weight 223.22.
It is also registered under: tert-butyl 3-nitrobenzoate, 3-硝基苯甲酸叔丁酯.
Category: Organic Chemicals.
Independent reference data for tert-butyl 3-nitrobenzoate (CAS 58656-99-8), compiled from public chemistry databases.
| CAS Registry Number | 58656-99-8 |
|---|---|
| PubChem CID | 11961369 |
| Molecular formula | C11H13NO4 |
| IUPAC name | tert-butyl 3-nitrobenzoate |
| UNII (FDA) | ST50949705 |
| Molecular Weight | 223.22 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 223.08445790 |
| Monoisotopic Mass | 223.08445790 |
| Topological Polar Surface Area | 72.1 |
| Heavy Atom Count | 16 |
Tert-butyl 3-nitrobenzoate; 58656-99-8; DTXSID10474798; RefChem:383424; DTXCID40425612; 3-nitro-benzoic acid tert-butyl ester; tert-Butyl3-nitrobenzoate; MFCD02091504; t-butyl 3-nitrobenzoate; SCHEMBL4746148; SCHEMBL30822838; SFFFYEGVQDWTNQ-UHFFFAOYSA-N; 3-Nitrobenzoic acid t-butyl ester; 3-Nitro-benzoic acid t-butyl ester; AB1298; SBB053781
tert-butyl 3-nitrobenzoate · CAS 58656-99-8 · C11H13NO4. UNII ST50949705.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-硝基苯甲酸叔丁酯