Cas no 54416-81-8 (Benzenamine, 4-chloro-2-fluoro-, hydrochloride)
54416-81-8 structure
Product Name:Benzenamine, 4-chloro-2-fluoro-, hydrochloride
CAS No:54416-81-8
MF:C6H6Cl2FN
MW:182.022943019867
CID:354657
PubChem ID:71364695
Update Time:2025-04-19
Benzenamine, 4-chloro-2-fluoro-, hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 4-chloro-2-fluoro-, hydrochloride
- 4-chloro-2-fluoroaniline,hydrochloride
- 54416-81-8
- 4-Chloro-2-fluoroaniline--hydrogen chloride (1/1)
- DTXSID20788151
-
- Inchi: 1S/C6H5ClFN.ClH/c7-4-1-2-6(9)5(8)3-4;/h1-3H,9H2;1H
- InChI Key: TZZUKRWKJHFYJQ-UHFFFAOYSA-N
- SMILES: ClC1C=CC(=C(C=1)F)N.Cl
Computed Properties
- Exact Mass: 180.98628
- Monoisotopic Mass: 180.9861327g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 99.1
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.02
Benzenamine, 4-chloro-2-fluoro-, hydrochloride Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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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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