Cas no 128076-64-2 (Ethanone, 1-(2-amino-5-fluorophenyl)-2-chloro- (9CI))
128076-64-2 structure
Product Name:Ethanone, 1-(2-amino-5-fluorophenyl)-2-chloro- (9CI)
CAS No:128076-64-2
MF:C8H7ClFNO
MW:187.598684549332
CID:1222779
PubChem ID:10750097
Update Time:2025-04-20
Ethanone, 1-(2-amino-5-fluorophenyl)-2-chloro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(2-amino-5-fluorophenyl)-2-chloro- (9CI)
- 1-(2-amino-5-fluorophenyl)-2-chloroethanone
- 2'-amino-2-chloro-5'-fluoroacetophenone
- DTXSID20444321
- 128076-64-2
- Ethanone, 1-(2-amino-5-fluorophenyl)-2-chloro-
- SCHEMBL5795078
- 1-(2-Amino-5-fluorophenyl)-2-chloroethan-1-one
- DB-275970
- IZAPRVJOMNGPLC-UHFFFAOYSA-N
-
- Inchi: 1S/C8H7ClFNO/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3H,4,11H2
- InChI Key: IZAPRVJOMNGPLC-UHFFFAOYSA-N
- SMILES: ClCC(C1C=C(C=CC=1N)F)=O
Computed Properties
- Exact Mass: 187.02011
- Monoisotopic Mass: 187.0200197g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 176
- 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: 2.2
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- PSA: 43.09
Ethanone, 1-(2-amino-5-fluorophenyl)-2-chloro- (9CI) Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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