Cas no 1407714-55-9 (3-bromo-6-methyl-1,2-benzoxazole)
1407714-55-9 structure
Product Name:3-bromo-6-methyl-1,2-benzoxazole
CAS No:1407714-55-9
MF:C8H6BrNO
MW:212.043341159821
CID:6833375
PubChem ID:83835184
Update Time:2025-03-27
3-bromo-6-methyl-1,2-benzoxazole Chemical and Physical Properties
Names and Identifiers
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- 1407714-55-9
- 3-Bromo-6-methylbenzo[d]isoxazole
- 3-bromo-6-methyl-1,2-benzoxazole
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- Inchi： 1S/C8H6BrNO/c1-5-2-3-6-7(4-5)11-10-8(6)9/h2-4H,1H3
- InChI Key： HWGAECPCTVUZDF-UHFFFAOYSA-N
- SMILES： BrC1C2C=CC(C)=CC=2ON=1
Computed Properties
- Exact Mass: 210.963
- Monoisotopic Mass: 210.963
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 153
- 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
- Topological Polar Surface Area: 26A^2
- XLogP3: 3.1
3-bromo-6-methyl-1,2-benzoxazole Related Literature
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1. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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