Cas no 1493996-94-3 ()
structure
Product Name:
CAS No:1493996-94-3
MF:C7H7FN2O
MW:154.141684770584
CID:6767379
PubChem ID:64950505
Update Time:2024-03-03
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C7H7FN2O/c1-9-7(11)5-2-3-10-4-6(5)8/h2-4H,1H3,(H,9,11)
- InChI Key： IRKWTQHBTUWRHT-UHFFFAOYSA-N
- SMILES： FC1C=NC=CC=1C(NC)=O
Computed Properties
- Exact Mass: 154.05424101g/mol
- Monoisotopic Mass: 154.05424101g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 151
- 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: 0.2
- Topological Polar Surface Area: 42?2
Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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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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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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