Cas no 88489-88-7 (Benzoxazole, 2-[4-(chloromethyl)phenyl]-6-nitro-)
![Benzoxazole, 2-[4-(chloromethyl)phenyl]-6-nitro- structure](https://ossimg.kuujia.com/scimg/88500/88489-88-7x500.png)
88489-88-7 structure
Product Name:Benzoxazole, 2-[4-(chloromethyl)phenyl]-6-nitro-
CAS No:88489-88-7
MF:C14H9ClN2O3
MW:288.68586230278
CID:630780
PubChem ID:71318331
Update Time:2025-04-19
Benzoxazole, 2-[4-(chloromethyl)phenyl]-6-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoxazole, 2-[4-(chloromethyl)phenyl]-6-nitro-
- 2-[4-(chloromethyl)phenyl]-6-nitro-1,3-benzoxazole
- DTXSID90748469
- 88489-88-7
-
- Inchi： 1S/C14H9ClN2O3/c15-8-9-1-3-10(4-2-9)14-16-12-6-5-11(17(18)19)7-13(12)20-14/h1-7H,8H2
- InChI Key： SCTQMSNQYOPPFB-UHFFFAOYSA-N
- SMILES： ClCC1C=CC(=CC=1)C1=NC2C=CC(=CC=2O1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 288.0301698g/mol
- Monoisotopic Mass: 288.0301698g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 355
- 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: 3.6
- Topological Polar Surface Area: 71.8?2
Benzoxazole, 2-[4-(chloromethyl)phenyl]-6-nitro- Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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