Cas no 88954-09-0 (1,3-Benzenediol, 2-(1,1-dimethylethyl)-5-nitro-)
88954-09-0 structure
Product Name:1,3-Benzenediol, 2-(1,1-dimethylethyl)-5-nitro-
CAS No:88954-09-0
MF:C10H13NO4
MW:211.214523077011
CID:618466
PubChem ID:71320912
Update Time:2025-04-19
1,3-Benzenediol, 2-(1,1-dimethylethyl)-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediol, 2-(1,1-dimethylethyl)-5-nitro-
- 2-tert-butyl-5-nitrobenzene-1,3-diol
- 88954-09-0
- DTXSID40750774
-
- Inchi： 1S/C10H13NO4/c1-10(2,3)9-7(12)4-6(11(14)15)5-8(9)13/h4-5,12-13H,1-3H3
- InChI Key： QAPMGNYRQUGAFD-UHFFFAOYSA-N
- SMILES： OC1C=C(C=C(C=1C(C)(C)C)O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 211.08445790g/mol
- Monoisotopic Mass: 211.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 231
- 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: 2.7
- Topological Polar Surface Area: 86.3?2
1,3-Benzenediol, 2-(1,1-dimethylethyl)-5-nitro- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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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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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
88954-09-0 (1,3-Benzenediol, 2-(1,1-dimethylethyl)-5-nitro-) Related Products
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