Cas no 103481-66-9 (Benzene, 1-(bromomethyl)-4-(heptyloxy)-)
103481-66-9 structure
Product Name:Benzene, 1-(bromomethyl)-4-(heptyloxy)-
CAS No:103481-66-9
MF:C14H21BrO
MW:285.219943761826
CID:1137594
PubChem ID:15681270
Update Time:2025-04-20
Benzene, 1-(bromomethyl)-4-(heptyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(bromomethyl)-4-(heptyloxy)-
- 1-(bromomethyl)-4-heptoxybenzene
- p-heptyloxybenzyl bromide
- 103481-66-9
- HEAJPCDOCRJXCV-UHFFFAOYSA-N
- A1-05154
- DTXSID40576779
- Benzene, 1-(bromomethyl)-4-(heptyloxy)-,
- SCHEMBL9561907
- 1-(BROMOMETHYL)-4-(HEPTYLOXY)BENZENE
-
- Inchi： 1S/C14H21BrO/c1-2-3-4-5-6-11-16-14-9-7-13(12-15)8-10-14/h7-10H,2-6,11-12H2,1H3
- InChI Key： HEAJPCDOCRJXCV-UHFFFAOYSA-N
- SMILES： BrCC1C=CC(=CC=1)OCCCCCCC
Computed Properties
- Exact Mass: 284.07763
- Monoisotopic Mass: 284.07758g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 153
- 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: 5.3
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 1-(bromomethyl)-4-(heptyloxy)- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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