Cas no 55792-41-1 (Benzene, 1-(decyloxy)-2-isocyanato-)
55792-41-1 structure
Product Name:Benzene, 1-(decyloxy)-2-isocyanato-
CAS No:55792-41-1
MF:C17H25NO2
MW:275.38590502739
CID:350884
PubChem ID:13904860
Update Time:2025-04-19
Benzene, 1-(decyloxy)-2-isocyanato- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(decyloxy)-2-isocyanato-
- 1-decoxy-2-isocyanatobenzene
- DTXSID80552219
- 55792-41-1
- 1-(DECYLOXY)-2-ISOCYANATOBENZENE
-
- Inchi： 1S/C17H25NO2/c1-2-3-4-5-6-7-8-11-14-20-17-13-10-9-12-16(17)18-15-19/h9-10,12-13H,2-8,11,14H2,1H3
- InChI Key： TVPLEMAWBVHZAR-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1N=C=O)CCCCCCCCCC
Computed Properties
- Exact Mass: 275.18865
- Monoisotopic Mass: 275.188529040g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 11
- Complexity: 274
- 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: 7.2
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.66
Benzene, 1-(decyloxy)-2-isocyanato- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
55792-41-1 (Benzene, 1-(decyloxy)-2-isocyanato-) Related Products
- 55792-37-5(4-(Heptyloxy)phenyl isocyanate)
- 5395-71-1(1-ethoxy-2-isocyanatobenzene)
- 32223-72-6(4-(Octyloxy)phenyl isocyanate)
- 32223-70-4(Benzene,1-(hexyloxy)-4-isocyanato-)
- 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)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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