Cas no 920760-13-0 (Tert-Butyl 3-(bromomethyl)-2-nitrobenzoate)
920760-13-0 structure
Product Name:Tert-Butyl 3-(bromomethyl)-2-nitrobenzoate
CAS No:920760-13-0
MF:C12H14BrNO4
MW:316.147862911224
CID:747368
Update Time:2023-08-03
Tert-Butyl 3-(bromomethyl)-2-nitrobenzoate Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3-(bromomethyl)-2-nitro-, 1,1-dimethylethyl ester
- tert-butyl 3-(bromomethyl)-2-nitrobenzoate
- Tert-Butyl 3-(bromomethyl)-2-nitrobenzoate
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- Inchi： 1S/C12H14BrNO4/c1-12(2,3)18-11(15)9-6-4-5-8(7-13)10(9)14(16)17/h4-6H,7H2,1-3H3
- InChI Key： CLKAPYSZCAQBLX-UHFFFAOYSA-N
- SMILES： BrCC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC(C)(C)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 321
- Topological Polar Surface Area: 72.1
Tert-Butyl 3-(bromomethyl)-2-nitrobenzoate Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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