Cas no 820971-87-7 (Benzonitrile, 3-[bromo(4-chlorophenyl)methyl]-)
![Benzonitrile, 3-[bromo(4-chlorophenyl)methyl]- structure](https://ossimg.kuujia.com/scimg/821000/820971-87-7x500.png)
820971-87-7 structure
Product Name:Benzonitrile, 3-[bromo(4-chlorophenyl)methyl]-
CAS No:820971-87-7
MF:C14H9BrClN
MW:306.584961652756
CID:699092
PubChem ID:67055351
Update Time:2025-04-19
Benzonitrile, 3-[bromo(4-chlorophenyl)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- 3-[bromo-(4-chlorophenyl)methyl]benzonitrile
- Benzonitrile, 3-[bromo(4-chlorophenyl)methyl]-
- 3-[bromo(4-chlorophenyl) methyl]benzonitrile
- DADMMUBKKGUWDR-UHFFFAOYSA-N
- DTXSID70736329
- SCHEMBL1500593
- 820971-87-7
- 3-[bromo(4-chlorophenyl)methyl]benzonitrile
-
- Inchi： 1S/C14H9BrClN/c15-14(11-4-6-13(16)7-5-11)12-3-1-2-10(8-12)9-17/h1-8,14H
- InChI Key： DADMMUBKKGUWDR-UHFFFAOYSA-N
- SMILES： BrC(C1C=CC(=CC=1)Cl)C1C=CC=C(C#N)C=1
Computed Properties
- Exact Mass: 304.96069g/mol
- Monoisotopic Mass: 304.96069g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 290
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.5
- Topological Polar Surface Area: 23.8?2
Benzonitrile, 3-[bromo(4-chlorophenyl)methyl]- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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