Cas no 585544-30-5 (Boronic acid, [5-[(cyclopropylamino)carbonyl]-3-fluoro-2-methylphenyl]-)
![Boronic acid, [5-[(cyclopropylamino)carbonyl]-3-fluoro-2-methylphenyl]- structure](https://ossimg.kuujia.com/scimg/586000/585544-30-5x500.png)
585544-30-5 structure
Product Name:Boronic acid, [5-[(cyclopropylamino)carbonyl]-3-fluoro-2-methylphenyl]-
CAS No:585544-30-5
MF:C11H13BFNO3
MW:237.035226583481
CID:341674
PubChem ID:21914527
Update Time:2025-04-19
Boronic acid, [5-[(cyclopropylamino)carbonyl]-3-fluoro-2-methylphenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Boronic acid, [5-[(cyclopropylamino)carbonyl]-3-fluoro-2-methylphenyl]-
- [5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]boronic acid
- SCHEMBL2215090
- {5-[(cyclopropylamino)carbonyl]-3-fluoro-2-methylphenyl}boronic acid
- 585544-30-5
- starbld0019291
- ZAWITYYIKZBCGU-UHFFFAOYSA-N
- DTXSID70620012
- {5-[(cyclopropylamino)carbonyl]-3-fluoro-2-methylphenyl)boronic acid
- (5-(Cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl)boronic acid
-
- Inchi： 1S/C11H13BFNO3/c1-6-9(12(16)17)4-7(5-10(6)13)11(15)14-8-2-3-8/h4-5,8,16-17H,2-3H2,1H3,(H,14,15)
- InChI Key： ZAWITYYIKZBCGU-UHFFFAOYSA-N
- SMILES： FC1C(C)=C(B(O)O)C=C(C=1)C(NC1CC1)=O
Computed Properties
- Exact Mass: 236.10089
- Monoisotopic Mass: 237.0972516g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 298
- 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: 69.6?2
Experimental Properties
- PSA: 69.56
Boronic acid, [5-[(cyclopropylamino)carbonyl]-3-fluoro-2-methylphenyl]- Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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