Cas no 81573-26-4 (1,2-Benzenedicarbonitrile, 4-ethoxy-)
81573-26-4 structure
Product Name:1,2-Benzenedicarbonitrile, 4-ethoxy-
CAS No:81573-26-4
MF:C10H8N2O
MW:172.18332195282
CID:703680
PubChem ID:12938831
Update Time:2025-04-19
1,2-Benzenedicarbonitrile, 4-ethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarbonitrile, 4-ethoxy-
- 4-ethoxybenzene-1,2-dicarbonitrile
- DTXSID50513478
- 4-ethoxy phthalonitrile
- SCHEMBL11843714
- 81573-26-4
-
- Inchi： 1S/C10H8N2O/c1-2-13-10-4-3-8(6-11)9(5-10)7-12/h3-5H,2H2,1H3
- InChI Key： COTPFQKCHIZHQY-UHFFFAOYSA-N
- SMILES： O(CC)C1C=CC(C#N)=C(C#N)C=1
Computed Properties
- Exact Mass: 172.063662883g/mol
- Monoisotopic Mass: 172.063662883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 257
- 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: 1.7
- Topological Polar Surface Area: 56.8?2
1,2-Benzenedicarbonitrile, 4-ethoxy- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
81573-26-4 (1,2-Benzenedicarbonitrile, 4-ethoxy-) Related Products
- 25117-74-2(Benzonitrile, 4-ethoxy-)
- 25117-75-3(3-Ethoxybenzonitrile)
- 80323-72-4(1,2-Benzenedicarbonitrile, 4-methoxy-)
- 38791-62-7(4-Phenoxyphthalonitrile)
- 106144-18-7(4-Propoxyphthalonitrile)
- 80407-67-6(3-(2-Methoxyethoxy)benzonitrile)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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