Cas no 223699-35-2 ( )
structure
Product Name:
CAS No:223699-35-2
MF:C8H6ClFO
MW:172.584044933319
CID:874223
PubChem ID:21866696
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 4-(fluoromethyl)benzoyl chloride
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- Inchi： 1S/C8H6ClFO/c9-8(11)7-3-1-6(5-10)2-4-7/h1-4H,5H2
- InChI Key： XJGXDVDSBIHSMK-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC(CF)=CC=1)=O
Computed Properties
- Exact Mass: 172.00918
- Monoisotopic Mass: 172.0091207g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 141
- 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: 2.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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