Cas no 1374572-68-5 (1(3H)-Isobenzofuranone, 5-bromo-6-(trifluoromethyl)-)
1374572-68-5 structure
Product Name:1(3H)-Isobenzofuranone, 5-bromo-6-(trifluoromethyl)-
CAS No:1374572-68-5
MF:C9H4BrF3O2
MW:281.026072502136
CID:2124830
Update Time:2023-08-04
1(3H)-Isobenzofuranone, 5-bromo-6-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 5-bromo-6-(trifluoromethyl)isobenzofuran-1(3H)-one
- 1(3H)-Isobenzofuranone, 5-bromo-6-(trifluoromethyl)-
- CYDLFAYTWYNZKI-UHFFFAOYSA-N
- 5-bromo-6-(trifluoromethyl)-2-benzofuran-1(3H)-one
-
- Inchi： 1S/C9H4BrF3O2/c10-7-1-4-3-15-8(14)5(4)2-6(7)9(11,12)13/h1-2H,3H2
- InChI Key： CYDLFAYTWYNZKI-UHFFFAOYSA-N
- SMILES： BrC1=CC2COC(C=2C=C1C(F)(F)F)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 279
- Topological Polar Surface Area: 26.3
1(3H)-Isobenzofuranone, 5-bromo-6-(trifluoromethyl)- Related Literature
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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
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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