Cas no 76806-40-1 (Benzene, 1,4-diisocyanato-2,5-dimethoxy-)
76806-40-1 structure
Product Name:Benzene, 1,4-diisocyanato-2,5-dimethoxy-
CAS No:76806-40-1
MF:C10H8N2O4
MW:220.181522369385
CID:537227
PubChem ID:22346044
Update Time:2025-04-19
Benzene, 1,4-diisocyanato-2,5-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,4-diisocyanato-2,5-dimethoxy-
- 1,4-diisocyanato-2,5-dimethoxybenzene
- SCHEMBL542663
- 76806-40-1
- DTXSID90625069
-
- Inchi： 1S/C10H8N2O4/c1-15-9-3-8(12-6-14)10(16-2)4-7(9)11-5-13/h3-4H,1-2H3
- InChI Key： YYBNIAYKDOAPCF-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C(=CC=1N=C=O)OC)N=C=O
Computed Properties
- Exact Mass: 220.04840674g/mol
- Monoisotopic Mass: 220.04840674g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 289
- 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: 3.5
- Topological Polar Surface Area: 77.3?2
Benzene, 1,4-diisocyanato-2,5-dimethoxy- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
76806-40-1 (Benzene, 1,4-diisocyanato-2,5-dimethoxy-) Related Products
- 700-87-8(2-Methoxyphenyl isocyanate)
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