Cas no 107144-35-4 (6-chloronaphthalene-2,3-dicarbonitrile)
107144-35-4 structure
Product Name:6-chloronaphthalene-2,3-dicarbonitrile
CAS No:107144-35-4
MF:C12H5ClN2
MW:212.634501218796
CID:1185753
PubChem ID:19991333
Update Time:2025-04-20
6-chloronaphthalene-2,3-dicarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 6-chloronaphthalene-2,3-dicarbonitrile
- 107144-35-4
- DTXSID50601723
- SCHEMBL9633299
-
- Inchi： 1S/C12H5ClN2/c13-12-2-1-8-3-10(6-14)11(7-15)4-9(8)5-12/h1-5H
- InChI Key： UDZAOYCDIKVCAT-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=CC(C#N)=C(C#N)C=C2C=1
Computed Properties
- Exact Mass: 392.22329
- Monoisotopic Mass: 212.0141259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 334
- 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: 3.3
- Topological Polar Surface Area: 47.6?2
Experimental Properties
- PSA: 77.04
6-chloronaphthalene-2,3-dicarbonitrile Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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