Cas no 918435-06-0 (Benzene, 1-isocyanato-4-(2-phenylethyl)-)
918435-06-0 structure
Product Name:Benzene, 1-isocyanato-4-(2-phenylethyl)-
CAS No:918435-06-0
MF:C15H13NO
MW:223.269823789597
CID:775955
PubChem ID:71427167
Update Time:2025-04-19
Benzene, 1-isocyanato-4-(2-phenylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-isocyanato-4-(2-phenylethyl)-
- 1-isocyanato-4-(2-phenylethyl)benzene
- DTXSID00845913
- SCHEMBL4600058
- 918435-06-0
-
- Inchi： 1S/C15H13NO/c17-12-16-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11H,6-7H2
- InChI Key： PHMBEDBRFGWJHI-UHFFFAOYSA-N
- SMILES： O=C=NC1C=CC(=CC=1)CCC1C=CC=CC=1
Computed Properties
- Exact Mass: 223.099714038g/mol
- Monoisotopic Mass: 223.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 256
- 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: 4.9
- Topological Polar Surface Area: 29.4?2
Benzene, 1-isocyanato-4-(2-phenylethyl)- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
918435-06-0 (Benzene, 1-isocyanato-4-(2-phenylethyl)-) Related Products
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