Cas no 101651-68-7 (Boronic acid,[2-(acetylamino)-1,4-phenylene]bis- (9CI))
![Boronic acid,[2-(acetylamino)-1,4-phenylene]bis- (9CI) structure](https://ossimg.kuujia.com/scimg/102000/101651-68-7x500.png)
101651-68-7 structure
Product Name:Boronic acid,[2-(acetylamino)-1,4-phenylene]bis- (9CI)
CAS No:101651-68-7
MF:C8H11B2NO5
MW:222.798642396927
CID:198415
PubChem ID:3063819
Update Time:2025-04-19
Boronic acid,[2-(acetylamino)-1,4-phenylene]bis- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Boronic acid,[2-(acetylamino)-1,4-phenylene]bis- (9CI)
- (2-acetamido-4-boronophenyl)boronic acid
- 2-Acetamidobenzene-1,4-diboronic acid
- p-Benzenediboronic acid, 2-acetamido-
- Acetanilide, 2',5'-diborono-
- 101651-68-7
- DTXSID80144097
- (2-Acetamido-1,4-phenylene)diboronic acid
- 2',5'-Diboronoacetanilide
-
- Inchi： 1S/C8H11B2NO5/c1-5(12)11-8-4-6(9(13)14)2-3-7(8)10(15)16/h2-4,13-16H,1H3,(H,11,12)
- InChI Key： XYGXYTKKXHFLLI-UHFFFAOYSA-N
- SMILES： OB(C1C=CC(B(O)O)=CC=1NC(C)=O)O
Computed Properties
- Exact Mass: 221.08953
- Monoisotopic Mass: 223.082333
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 251
- 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: 110
Experimental Properties
- Density: 1.38
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.569
- PSA: 110.02
- LogP: -2.34590
Boronic acid,[2-(acetylamino)-1,4-phenylene]bis- (9CI) Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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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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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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