Cas no 30397-00-3 (Phenol, 2-nitro-4-sec-pentyl-)
Phenol, 2-nitro-4-sec-pentyl- structure
Product Name:Phenol, 2-nitro-4-sec-pentyl-
CAS No:30397-00-3
MF:C11H15NO3
MW:209.241703271866
CID:293089
PubChem ID:528965
Update Time:2025-04-19
Phenol, 2-nitro-4-sec-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-nitro-4-sec-pentyl-
- 2-nitro-4-pentan-2-ylphenol
- DTXSID20336075
- BUIJJQHOWLTFQA-UHFFFAOYSA-N
- 30397-00-3
- SCHEMBL11620245
- Phenol, 4-(1-methylbutyl)-2-nitro
-
- Inchi： 1S/C11H15NO3/c1-3-4-8(2)9-5-6-11(13)10(7-9)12(14)15/h5-8,13H,3-4H2,1-2H3
- InChI Key： BUIJJQHOWLTFQA-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1[N+](=O)[O-])C(C)CCC
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: 3
- Complexity: 214
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.4
- Topological Polar Surface Area: 66?2
Experimental Properties
- PSA: 63.37
Phenol, 2-nitro-4-sec-pentyl- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
30397-00-3 (Phenol, 2-nitro-4-sec-pentyl-) Related Products
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