Cas no 649553-05-9 (1,2-Benzenedicarbonitrile, 4-chloro-5-[4-(hydroxymethyl)phenoxy]-)
![1,2-Benzenedicarbonitrile, 4-chloro-5-[4-(hydroxymethyl)phenoxy]- structure](https://ossimg.kuujia.com/scimg/650000/649553-05-9x500.png)
649553-05-9 structure
Product Name:1,2-Benzenedicarbonitrile, 4-chloro-5-[4-(hydroxymethyl)phenoxy]-
CAS No:649553-05-9
MF:C15H9ClN2O2
MW:284.697162389755
CID:411421
PubChem ID:71377900
Update Time:2025-04-19
1,2-Benzenedicarbonitrile, 4-chloro-5-[4-(hydroxymethyl)phenoxy]- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarbonitrile, 4-chloro-5-[4-(hydroxymethyl)phenoxy]-
- 4-chloro-5-[4-(hydroxymethyl)phenoxy]benzene-1,2-dicarbonitrile
- 649553-05-9
- DTXSID00800527
-
- Inchi： 1S/C15H9ClN2O2/c16-14-5-11(7-17)12(8-18)6-15(14)20-13-3-1-10(9-19)2-4-13/h1-6,19H,9H2
- InChI Key： RUXMJXWUSOBOJP-UHFFFAOYSA-N
- SMILES： ClC1=CC(C#N)=C(C#N)C=C1OC1C=CC(CO)=CC=1
Computed Properties
- Exact Mass: 284.03537
- Monoisotopic Mass: 284.0352552g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 416
- 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: 2.6
- Topological Polar Surface Area: 77?2
Experimental Properties
- PSA: 77.04
1,2-Benzenedicarbonitrile, 4-chloro-5-[4-(hydroxymethyl)phenoxy]- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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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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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
649553-05-9 (1,2-Benzenedicarbonitrile, 4-chloro-5-[4-(hydroxymethyl)phenoxy]-) Related Products
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