Cas no 920760-12-9 (Benzoic acid, 3-methyl-2-nitro-, 1,1-dimethylethyl ester)
920760-12-9 structure
Product Name:Benzoic acid, 3-methyl-2-nitro-, 1,1-dimethylethyl ester
CAS No:920760-12-9
MF:C12H15NO4
MW:237.251803636551
CID:747369
PubChem ID:57944066
Update Time:2025-04-19
Benzoic acid, 3-methyl-2-nitro-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-methyl-2-nitro-, 1,1-dimethylethyl ester
- tert-butyl 3-methyl-2-nitrobenzoate
- 920760-12-9
- SCHEMBL4373422
- DTXSID30728442
- AKOS013211046
- 2-nitro-3-methyl benzoic acid t-butyl ester
- VQUQZWQVUBLSNV-UHFFFAOYSA-N
-
- Inchi： 1S/C12H15NO4/c1-8-6-5-7-9(10(8)13(15)16)11(14)17-12(2,3)4/h5-7H,1-4H3
- InChI Key： VQUQZWQVUBLSNV-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=C(C)C=1[N+](=O)[O-])=O)C(C)(C)C
Computed Properties
- Exact Mass: 237.10010796g/mol
- Monoisotopic Mass: 237.10010796g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- 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
- XLogP3: 3
- Topological Polar Surface Area: 72.1?2
Benzoic acid, 3-methyl-2-nitro-, 1,1-dimethylethyl ester Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
920760-12-9 (Benzoic acid, 3-methyl-2-nitro-, 1,1-dimethylethyl ester) Related Products
- 57052-99-0(Dimethyl 2-nitroisophthalate)
- 5471-82-9(Methyl 3-methyl-2-nitrobenzoate)
- 610-34-4(Ethyl 2-nitrobenzoate)
- 16533-45-2(2-(Ethoxycarbonyl)-6-nitrobenzoic acid)
- 147290-67-3(Benzoic acid,3-methyl-4-nitro-, 1,1-dimethylethyl ester)
- 64152-09-6(3-(Methoxycarbonyl)-4-nitrobenzoic Acid)
- 861593-27-3(2-Nitroisophthalic Acid Monomethyl Ester)
- 30650-90-9(Ethyl 3-methyl-4-nitrobenzoate)
- 84228-46-6(Ethyl 4-amino-2-nitrobenzoate)
- 606-27-9(Methyl 2-nitrobenzoate)
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