Cas no 64122-22-1 (Benzonitrile, 3,5-dichloro-2-methoxy-)
64122-22-1 structure
Product Name:Benzonitrile, 3,5-dichloro-2-methoxy-
CAS No:64122-22-1
MF:C8H5Cl2NO
MW:202.037400007248
CID:1669934
PubChem ID:45923247
Update Time:2025-04-21
Benzonitrile, 3,5-dichloro-2-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 3,5-dichloro-2-methoxy-
- AKOS000113855
- 64122-22-1
- STL432207
- JJBFMJTVXOXDEC-UHFFFAOYSA-N
- CHEMBL4969002
- 3,5-Dichloro-2-methoxybenzonitrile
-
- Inchi： 1S/C8H5Cl2NO/c1-12-8-5(4-11)2-6(9)3-7(8)10/h2-3H,1H3
- InChI Key： JJBFMJTVXOXDEC-UHFFFAOYSA-N
- SMILES： ClC1=CC(=CC(C#N)=C1OC)Cl
Computed Properties
- Exact Mass: 200.97495
- Monoisotopic Mass: 200.9748192g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 201
- 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: 33?2
Experimental Properties
- PSA: 33.02
Benzonitrile, 3,5-dichloro-2-methoxy- Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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