Cas no 105687-96-5 (Benzene, 1-isocyanato-4-[(4-isocyanatophenoxy)methyl]-)
![Benzene, 1-isocyanato-4-[(4-isocyanatophenoxy)methyl]- structure](https://ossimg.kuujia.com/scimg/106000/105687-96-5x500.png)
105687-96-5 structure
Product Name:Benzene, 1-isocyanato-4-[(4-isocyanatophenoxy)methyl]-
CAS No:105687-96-5
MF:C15H10N2O3
MW:266.25150346756
CID:1160316
PubChem ID:13668615
Update Time:2025-04-20
Benzene, 1-isocyanato-4-[(4-isocyanatophenoxy)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-isocyanato-4-[(4-isocyanatophenoxy)methyl]-
- 1-isocyanato-4-[(4-isocyanatophenoxy)methyl]benzene
- SCHEMBL5172920
- DTXSID00546271
- 105687-96-5
-
- Inchi： 1S/C15H10N2O3/c18-10-16-13-3-1-12(2-4-13)9-20-15-7-5-14(6-8-15)17-11-19/h1-8H,9H2
- InChI Key： INXJKXWSFPJCCC-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)N=C=O)CC1C=CC(=CC=1)N=C=O
Computed Properties
- Exact Mass: 266.06914219g/mol
- Monoisotopic Mass: 266.06914219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 384
- 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: 5
- Topological Polar Surface Area: 68.1?2
Experimental Properties
- PSA: 68.09000
- LogP: 3.20020
Benzene, 1-isocyanato-4-[(4-isocyanatophenoxy)methyl]- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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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
105687-96-5 (Benzene, 1-isocyanato-4-[(4-isocyanatophenoxy)methyl]-) Related Products
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