Cas no 75870-97-2 (Benzoyl fluoride,4-chloro-2-methyl-)
75870-97-2 structure
Product Name:Benzoyl fluoride,4-chloro-2-methyl-
CAS No:75870-97-2
MF:C8H6ClFO
MW:172.584044933319
CID:560604
PubChem ID:23234164
Update Time:2025-04-19
Benzoyl fluoride,4-chloro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl fluoride,4-chloro-2-methyl-
- 4-Chloro-2-methylbenzoylfluoride
- Benzoyl fluoride, 4-chloro-2-methyl- (9CI)
- Benzoyl fluoride,4-chloro-2-methyl-(9ci)
- 75870-97-2
- 4-chloro-2-methylbenzoyl fluoride
- DTXSID10631369
-
- Inchi： 1S/C8H6ClFO/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3
- InChI Key： DMXBEFDSKNZEFB-UHFFFAOYSA-N
- SMILES： ClC1C=CC(C(=O)F)=C(C)C=1
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: 1
- Complexity: 160
- 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
Benzoyl fluoride,4-chloro-2-methyl- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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