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139152-08-2 | 1,2-Benzenedicarbonitrile, 4,5-dichloro-
CAS No: 139152-08-2 Catalog No: AG001AEJ MDL No:MFCD00191408
Product Description
Catalog Number:
AG001AEJ
Chemical Name:
1,2-Benzenedicarbonitrile, 4,5-dichloro-
CAS Number:
139152-08-2
Molecular Formula:
C8H2Cl2N2
Molecular Weight:
197.0209
MDL Number:
MFCD00191408
IUPAC Name:
4,5-dichlorobenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C8H2Cl2N2/c9-7-1-5(3-11)6(4-12)2-8(7)10/h1-2H
InChI Key:
SRIJSZQFAMLVQV-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)c(cc1C#N)Cl
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.96g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.018g/mol
Monoisotopic Mass:
195.96g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| 4,5-Diphen-oxy-benzene-1,2-dicarbo-nitrile. | Acta crystallographica. Section E, Structure reports online 20120301 |
| 4,5-Bis(2,4-di-tert-butyl-phen-oxy)phthalonitrile. | Acta crystallographica. Section E, Structure reports online 20110301 |
| Preparation and in vitro photodynamic activity of amphiphilic zinc(II) phthalocyanines substituted with 2-(dimethylamino)ethylthio moieties and their N-alkylated derivatives. | Bioorganic & medicinal chemistry 20100401 |
| Synthesis, characterization and nonlinear absorption of novel octakis-POSS substituted metallophthalocyanines and strong optical limiting property of CuPc. | Dalton transactions (Cambridge, England : 2003) 20080514 |
| Synthesis and photophysical properties of tetra- and octasubstituted phosphorous oxide triazatetrabenzcorrole photosensitizers. | Metal-based drugs 20080101 |
| Tetrapyrrole derivatives substituted with ferrocenylethynyl moieties. synthesis and electrochemical studies. | The Journal of organic chemistry 20010309 |
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