Cas no 99758-72-2 (Benzaldehyde, 2-(1,1-dimethylethyl)-4,5,6-trimethyl-3-nitro-)
99758-72-2 structure
Product Name:Benzaldehyde, 2-(1,1-dimethylethyl)-4,5,6-trimethyl-3-nitro-
CAS No:99758-72-2
MF:C14H19NO3
MW:249.305564165115
CID:750090
PubChem ID:71332169
Update Time:2025-04-19
Benzaldehyde, 2-(1,1-dimethylethyl)-4,5,6-trimethyl-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 2-(1,1-dimethylethyl)-4,5,6-trimethyl-3-nitro-
- 2-tert-butyl-4,5,6-trimethyl-3-nitrobenzaldehyde
- 99758-72-2
- DTXSID10760663
-
- Inchi： 1S/C14H19NO3/c1-8-9(2)11(7-16)12(14(4,5)6)13(10(8)3)15(17)18/h7H,1-6H3
- InChI Key： JOCXRNRYBKXVCI-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C(C)=C(C)C(C)=C(C=O)C=1C(C)(C)C)=O
Computed Properties
- Exact Mass: 249.13649347g/mol
- Monoisotopic Mass: 249.13649347g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 329
- 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: 4
- Topological Polar Surface Area: 62.9?2
Benzaldehyde, 2-(1,1-dimethylethyl)-4,5,6-trimethyl-3-nitro- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
99758-72-2 (Benzaldehyde, 2-(1,1-dimethylethyl)-4,5,6-trimethyl-3-nitro-) Related Products
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