Cas no 62390-70-9 (Benzonitrile, 3-bromo-2-hydroxy-5-nonyl-)
62390-70-9 structure
Product Name:Benzonitrile, 3-bromo-2-hydroxy-5-nonyl-
CAS No:62390-70-9
MF:C16H22BrNO
MW:324.255983829498
CID:446606
PubChem ID:21411807
Update Time:2025-04-19
Benzonitrile, 3-bromo-2-hydroxy-5-nonyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 3-bromo-2-hydroxy-5-nonyl-
- 3-bromo-2-hydroxy-5-nonylbenzonitrile
- 62390-70-9
- DTXSID30613329
-
- Inchi： 1S/C16H22BrNO/c1-2-3-4-5-6-7-8-9-13-10-14(12-18)16(19)15(17)11-13/h10-11,19H,2-9H2,1H3
- InChI Key： LKNMLUPFAGOLEW-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C#N)C=C(C=1)CCCCCCCCC)O
Computed Properties
- Exact Mass: 323.08856
- Monoisotopic Mass: 323.08848g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 8
- Complexity: 286
- 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: 7.1
- Topological Polar Surface Area: 44?2
Experimental Properties
- PSA: 44.02
Benzonitrile, 3-bromo-2-hydroxy-5-nonyl- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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