Cas no 38902-70-4 (Benzonitrile,2,6-dichloro-3,4-dihydroxy-)
38902-70-4 structure
Product Name:Benzonitrile,2,6-dichloro-3,4-dihydroxy-
CAS No:38902-70-4
MF:C7H3Cl2NO2
MW:204.010219812393
CID:296970
PubChem ID:45092966
Update Time:2025-04-19
Benzonitrile,2,6-dichloro-3,4-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,2,6-dichloro-3,4-dihydroxy-
- 2,6-Dichloro-3,4-dihydroxybenzonitrile
- DTXSID601281859
- 38902-70-4
-
- Inchi： 1S/C7H3Cl2NO2/c8-4-1-5(11)7(12)6(9)3(4)2-10/h1,11-12H
- InChI Key： MXLKSSGRAMWNQO-UHFFFAOYSA-N
- SMILES： ClC1=C(C#N)C(=CC(=C1O)O)Cl
Computed Properties
- Exact Mass: 202.95419
- Monoisotopic Mass: 202.954
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 215
- 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
- Topological Polar Surface Area: 64.2A^2
- XLogP3: 2.2
Experimental Properties
- PSA: 64.25
Benzonitrile,2,6-dichloro-3,4-dihydroxy- Related Literature
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1. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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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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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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