Cas no 301653-18-9 (Acetic acid 2-chloro-4-fluorophenyl ester)
301653-18-9 structure
Product Name:Acetic acid 2-chloro-4-fluorophenyl ester
CAS No:301653-18-9
MF:C8H6ClFO2
MW:188.583445072174
CID:1082946
PubChem ID:2779534
Update Time:2025-04-20
Acetic acid 2-chloro-4-fluorophenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid 2-chloro-4-fluorophenyl ester
- 2-Chloro-4-fluorophenyl acetate
- CTWQBKXPINCJIX-UHFFFAOYSA-N
- SCHEMBL3728350
- (2-chloro-4-fluorophenyl) acetate
- DB-360122
- 301653-18-9
-
- Inchi： 1S/C8H6ClFO2/c1-5(11)12-8-3-2-6(10)4-7(8)9/h2-4H,1H3
- InChI Key： CTWQBKXPINCJIX-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1OC(C)=O)F
Computed Properties
- Exact Mass: 188.0040353g/mol
- Monoisotopic Mass: 188.0040353g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 174
- 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: 2.1
- Topological Polar Surface Area: 26.3?2
Acetic acid 2-chloro-4-fluorophenyl ester Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
301653-18-9 (Acetic acid 2-chloro-4-fluorophenyl ester) Related Products
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