Cas no 1188264-32-5 (4-(2-Aminophenoxy)-2-fluorobenzonitrile)
1188264-32-5 structure
Product Name:4-(2-Aminophenoxy)-2-fluorobenzonitrile
CAS No:1188264-32-5
MF:C13H9FN2O
MW:228.221766233444
CID:1082440
PubChem ID:72206759
Update Time:2025-04-20
4-(2-Aminophenoxy)-2-fluorobenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-(2-Aminophenoxy)-2-fluorobenzonitrile
- DTXSID301278162
- AKOS017559818
- 1188264-32-5
- DA-18948
-
- Inchi： 1S/C13H9FN2O/c14-11-7-10(6-5-9(11)8-15)17-13-4-2-1-3-12(13)16/h1-7H,16H2
- InChI Key： BOBWDBBHBGKVID-UHFFFAOYSA-N
- SMILES： FC1=C(C#N)C=CC(=C1)OC1C=CC=CC=1N
Computed Properties
- Exact Mass: 228.06989108g/mol
- Monoisotopic Mass: 228.06989108g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 301
- 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: 2.6
- Topological Polar Surface Area: 59?2
4-(2-Aminophenoxy)-2-fluorobenzonitrile Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
1188264-32-5 (4-(2-Aminophenoxy)-2-fluorobenzonitrile) Related Products
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