Cas no 55792-36-4 (Benzene, 1-(heptyloxy)-3-isocyanato-)
55792-36-4 structure
Product Name:Benzene, 1-(heptyloxy)-3-isocyanato-
CAS No:55792-36-4
MF:C14H19NO2
MW:233.30616402626
CID:350888
PubChem ID:13665275
Update Time:2025-04-19
Benzene, 1-(heptyloxy)-3-isocyanato- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(heptyloxy)-3-isocyanato-
- 1-heptoxy-3-isocyanatobenzene
- 1-(HEPTYLOXY)-3-ISOCYANATOBENZENE
- DTXSID40546159
- 55792-36-4
-
- Inchi： 1S/C14H19NO2/c1-2-3-4-5-6-10-17-14-9-7-8-13(11-14)15-12-16/h7-9,11H,2-6,10H2,1H3
- InChI Key： ZFPVJHJYNGTAKC-UHFFFAOYSA-N
- SMILES： O(C1C=CC=C(C=1)N=C=O)CCCCCCC
Computed Properties
- Exact Mass: 233.14167
- Monoisotopic Mass: 233.141578849g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 236
- 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: 5.6
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.66
Benzene, 1-(heptyloxy)-3-isocyanato- Related Literature
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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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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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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
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
55792-36-4 (Benzene, 1-(heptyloxy)-3-isocyanato-) Related Products
- 28439-86-3(4-butoxyphenyl isocyanate)
- 55792-37-5(4-(Heptyloxy)phenyl isocyanate)
- 32223-72-6(4-(Octyloxy)phenyl isocyanate)
- 32223-70-4(Benzene,1-(hexyloxy)-4-isocyanato-)
- 55792-32-0(1-ethoxy-3-isocyanatobenzene)
- 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)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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