Cas no 105562-49-0 (Cyclohexanecarbonylchloride, 4-isocyanato-)
105562-49-0 structure
Product Name:Cyclohexanecarbonylchloride, 4-isocyanato-
CAS No:105562-49-0
MF:C8H10ClNO2
MW:187.623501300812
CID:126768
PubChem ID:13740252
Update Time:2025-04-18
Cyclohexanecarbonylchloride, 4-isocyanato- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarbonylchloride, 4-isocyanato-
- Cyclohexanecarbonyl chloride, 4-isocyanato- (9CI)
- 4-isocyanatocyclohexane-1-carbonyl chloride
- SCHEMBL9459585
- 105562-49-0
- DTXSID00548114
-
- Inchi： 1S/C8H10ClNO2/c9-8(12)6-1-3-7(4-2-6)10-5-11/h6-7H,1-4H2
- InChI Key： XVMLWFUWKQJQEY-UHFFFAOYSA-N
- SMILES： ClC(C1CCC(CC1)N=C=O)=O
Computed Properties
- Exact Mass: 187.0401
- Monoisotopic Mass: 187.0400063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 215
- 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: 2.7
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.5
- LogP: 1.64640
Cyclohexanecarbonylchloride, 4-isocyanato- Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
3. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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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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