Cas no 126695-59-8 (Benzenemethanol, 4-azido-2,3,5,6-tetrafluoro-)
126695-59-8 structure
Product Name:Benzenemethanol, 4-azido-2,3,5,6-tetrafluoro-
CAS No:126695-59-8
MF:C7H3F4N3O
MW:221.111834764481
CID:1224515
PubChem ID:14642568
Update Time:2025-04-20
Benzenemethanol, 4-azido-2,3,5,6-tetrafluoro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 4-azido-2,3,5,6-tetrafluoro-
- 126695-59-8
- (4-azido-2,3,5,6-tetrafluorophenyl)methanol
- DTXSID901268602
- MFCD25957390
- SY345346
- 4-(hydroxymethyl)-2,3,5,6-tetrafluoroaryl azide
- 4-Azido-2,3,5,6-tetrafluorobenzenemethanol
-
- Inchi： 1S/C7H3F4N3O/c8-3-2(1-15)4(9)6(11)7(5(3)10)13-14-12/h15H,1H2
- InChI Key： PQCRBYQLJBCLEN-UHFFFAOYSA-N
- SMILES： FC1C(=C(C(=C(C=1CO)F)F)N=[N+]=[N-])F
Computed Properties
- Exact Mass: 221.02129
- Monoisotopic Mass: 221.02122438g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 257
- 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: 2.4
- Topological Polar Surface Area: 34.6?2
Experimental Properties
- PSA: 68.99
Benzenemethanol, 4-azido-2,3,5,6-tetrafluoro- Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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