Cas no 2149598-28-5 (4-Bromo-2-fluoro-5-iodo-benzonitrile)
2149598-28-5 structure
Product Name:4-Bromo-2-fluoro-5-iodo-benzonitrile
CAS No:2149598-28-5
MF:C7H2BrFIN
MW:325.904356479645
CID:6838673
PubChem ID:129532641
Update Time:2025-03-24
4-Bromo-2-fluoro-5-iodo-benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-BROMO-2-FLUORO-5-IODOBENZONITRILE
- 2149598-28-5
- 4-Bromo-2-fluoro-5-iodo-benzonitrile
-
- Inchi： 1S/C7H2BrFIN/c8-5-2-6(9)4(3-11)1-7(5)10/h1-2H
- InChI Key： CKYHKEBNVIUBAI-UHFFFAOYSA-N
- SMILES： IC1=C(C=C(C(C#N)=C1)F)Br
Computed Properties
- Exact Mass: 324.83994Da
- Monoisotopic Mass: 324.83994Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 190
- 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: 3.1
- Topological Polar Surface Area: 23.8?2
4-Bromo-2-fluoro-5-iodo-benzonitrile Related Literature
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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