Cas no 191934-72-2 (Benzoyl chloride,2-(chloromethyl)-5-fluoro-)
191934-72-2 structure
Product Name:Benzoyl chloride,2-(chloromethyl)-5-fluoro-
CAS No:191934-72-2
MF:C8H5Cl2FO
MW:207.02910399437
CID:116102
PubChem ID:45081906
Update Time:2025-04-18
Benzoyl chloride,2-(chloromethyl)-5-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl chloride,2-(chloromethyl)-5-fluoro-
- 2-(chloromethyl)-5-fluorobenzoyl chloride
- Benzoyl chloride, 2-(chloromethyl)-5-fluoro- (9CI)
- SCHEMBL12805628
- DTXSID50664939
- 191934-72-2
-
- Inchi： 1S/C8H5Cl2FO/c9-4-5-1-2-6(11)3-7(5)8(10)12/h1-3H,4H2
- InChI Key： YCTOKSVCIGHDEV-UHFFFAOYSA-N
- SMILES： ClCC1C=CC(=CC=1C(=O)Cl)F
Computed Properties
- Exact Mass: 205.97025
- Monoisotopic Mass: 205.97
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- 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
- Topological Polar Surface Area: 17.1A^2
- XLogP3: 2.9
Experimental Properties
- PSA: 17.07
Benzoyl chloride,2-(chloromethyl)-5-fluoro- Related Literature
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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