Cas no 62621-12-9 (Benzoic acid, 2-methyl-4-nitro-, 1,1-dimethylethyl ester)
62621-12-9 structure
Product Name:Benzoic acid, 2-methyl-4-nitro-, 1,1-dimethylethyl ester
CAS No:62621-12-9
MF:C12H15NO4
MW:237.251803636551
CID:437700
PubChem ID:53420020
Update Time:2025-04-19
Benzoic acid, 2-methyl-4-nitro-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2-methyl-4-nitro-, 1,1-dimethylethyl ester
- tert-butyl 2-methyl-4-nitrobenzoate
- DTXSID80697553
- AKOS013211636
- 62621-12-9
- TERT-BUTYL2-METHYL-4-NITROBENZOATE
-
- MDL： MFCD08703403
- Inchi： 1S/C12H15NO4/c1-8-7-9(13(15)16)5-6-10(8)11(14)17-12(2,3)4/h5-7H,1-4H3
- InChI Key： SDBMNQVAVVRJPG-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1C)[N+](=O)[O-])=O)C(C)(C)C
Computed Properties
- Exact Mass: 237.10015
- Monoisotopic Mass: 237.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 303
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 72.1A^2
- XLogP3: 3
Experimental Properties
- PSA: 69.44
Benzoic acid, 2-methyl-4-nitro-, 1,1-dimethylethyl ester Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
62621-12-9 (Benzoic acid, 2-methyl-4-nitro-, 1,1-dimethylethyl ester) Related Products
- 77324-87-9(Methyl 2-methyl-5-nitrobenzoate)
- 5466-84-2(4-Nitrophthalic anhydride)
- 58656-99-8(tert-Butyl 3-nitrobenzoate)
- 610-93-5(6-Nitrophthalide)
- 5342-97-2(tert-butyl 3,5-dinitrobenzoate)
- 610-22-0(1,2-Dimethyl 4-nitrophthalate)
- 618-98-4(Ethyl 3-nitrobenzoate)
- 10552-74-6(Nitrothal-isopropyl)
- 62621-09-4(methyl 2-methyl-4-nitro-benzoate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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