Cas no 70444-48-3 (Phenol, 2-(1,1-dimethylethyl)-4-methyl-6-nitro-)
70444-48-3 structure
Product Name:Phenol, 2-(1,1-dimethylethyl)-4-methyl-6-nitro-
CAS No:70444-48-3
MF:C11H15NO3
MW:209.241703271866
CID:547224
PubChem ID:3736212
Update Time:2025-04-19
Phenol, 2-(1,1-dimethylethyl)-4-methyl-6-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-(1,1-dimethylethyl)-4-methyl-6-nitro-
- 2-tert-butyl-4-methyl-6-nitrophenol
- LABOTEST-BB LT00239246
- SCHEMBL17500084
- DTXSID10395732
- AKOS000445180
- 70444-48-3
-
- Inchi： 1S/C11H15NO3/c1-7-5-8(11(2,3)4)10(13)9(6-7)12(14)15/h5-6,13H,1-4H3
- InChI Key： NLRFBTUMGBHDRH-UHFFFAOYSA-N
- SMILES： OC1C(=CC(C)=CC=1C(C)(C)C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 209.10525
- Monoisotopic Mass: 209.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 241
- 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: 66?2
Experimental Properties
- PSA: 63.37
Phenol, 2-(1,1-dimethylethyl)-4-methyl-6-nitro- Related Literature
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
70444-48-3 (Phenol, 2-(1,1-dimethylethyl)-4-methyl-6-nitro-) Related Products
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