Cas no 886593-61-9 (4-Bromo-2-(2-oxoethyl)benzonitrile)
886593-61-9 structure
Product Name:4-Bromo-2-(2-oxoethyl)benzonitrile
CAS No:886593-61-9
MF:C9H6BrNO
MW:224.054041385651
CID:2194491
PubChem ID:53418780
Update Time:2025-04-21
4-Bromo-2-(2-oxoethyl)benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-Bromo-2-(2-oxoethyl)benzonitrile
- SCHEMBL6112009
- DTXSID50697449
- 886593-61-9
- DB-123329
-
- Inchi： 1S/C9H6BrNO/c10-9-2-1-8(6-11)7(5-9)3-4-12/h1-2,4-5H,3H2
- InChI Key： NDUKOBYFWNIQMW-UHFFFAOYSA-N
- SMILES： BrC1C=CC(C#N)=C(C=1)CC=O
Computed Properties
- Exact Mass: 222.96328Da
- Monoisotopic Mass: 222.96328Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 208
- 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: 1.7
- Topological Polar Surface Area: 40.9?2
4-Bromo-2-(2-oxoethyl)benzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Ambeed | A408142-1g |
4-Bromo-2-(2-oxoethyl)benzonitrile |
886593-61-9 | 97% | 1g |
$1570.0 | 2025-04-15 |
4-Bromo-2-(2-oxoethyl)benzonitrile Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
886593-61-9 (4-Bromo-2-(2-oxoethyl)benzonitrile) Related Products
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