Cas no 6797-15-5 (benzoxazole, 2-(1-methylethyl)- (9ci))
6797-15-5 structure
Product Name:benzoxazole, 2-(1-methylethyl)- (9ci)
CAS No:6797-15-5
MF:C10H11NO
MW:161.200442552567
CID:968071
PubChem ID:12478179
Update Time:2025-04-19
benzoxazole, 2-(1-methylethyl)- (9ci) Chemical and Physical Properties
Names and Identifiers
-
- benzoxazole, 2-(1-methylethyl)- (9ci)
- 6797-15-5
- DTXSID501309575
- Benzoxazole,2-(1-methylethyl)-(9ci)
- SCHEMBL86097
- 2-(1-Methylethyl)benzoxazole
- 2-Isopropylbenzo[d]oxazole
- 2-iso-Propylbenzoxazole
- 2-(propan-2-yl)-1,3-benzoxazole
- HS-6299
-
- Inchi： 1S/C10H11NO/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-7H,1-2H3
- InChI Key： BEMLMLRIKVNBEY-UHFFFAOYSA-N
- SMILES： O1C2C=CC=CC=2N=C1C(C)C
Computed Properties
- Exact Mass: 161.084063974g/mol
- Monoisotopic Mass: 161.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 158
- 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: 2.9
- Topological Polar Surface Area: 26?2
benzoxazole, 2-(1-methylethyl)- (9ci) Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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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
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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