Cas no 405173-94-6 (2-Chloromethyl-7-fluoro-1H-benzimidazole)
405173-94-6 structure
Product Name:2-Chloromethyl-7-fluoro-1H-benzimidazole
CAS No:405173-94-6
MF:C8H6ClFN2
MW:184.59804391861
CID:852078
Update Time:2023-08-02
2-Chloromethyl-7-fluoro-1H-benzimidazole Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole,2-(chloromethyl)-4-fluoro-(9CI)
- WDXMRBVCBCOJRU-UHFFFAOYSA-N
- 2-chloromethyl-4-fluorobenzimidazole
- 2-chloromethyl-7-fluoro-1H-benzimidazole
- 2-(Chloromethyl)-4-fluoro-1H-benzo[d]imidazole
- 2-Chloromethyl-7-fluoro-1H-benzimidazole
-
- Inchi： 1S/C8H6ClFN2/c9-4-7-11-6-3-1-2-5(10)8(6)12-7/h1-3H,4H2,(H,11,12)
- InChI Key： WDXMRBVCBCOJRU-UHFFFAOYSA-N
- SMILES： ClCC1=NC2C(=CC=CC=2N1)F
Computed Properties
- Exact Mass: 184.02
- Monoisotopic Mass: 184.02
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 167
- 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: 1.9
- Topological Polar Surface Area: 28.7
2-Chloromethyl-7-fluoro-1H-benzimidazole Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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