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Oleyl Bromide

CAT: 0013-GTR19259472Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19259472Size:1 g
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Description
Oleyl bromide ((Z) -1-Bromooctadec-9-ene) is a hydrophobic compound that can carry out ring-opening reaction through a process called ""encapsulation"". Oleyl bromine can also be used as the starting material in the synthesis of oleylphosphonates.
CAS Number
6110-53-8
Purity
0.98
Smiles
BrCCCCCCCC/C=C\CCCCCCCC
Molecular Formula
C18H35BR
Molecular Weight
331.374505281448
Notes
For research use only.

Chemical Information

9-Octadecene, 1-bromo-, (9Z)-
CAS Number6110-53-8
PubChem CID5840383
IUPAC Name(Z)-1-bromooctadec-9-ene
Molecular FormulaC18H35Br
Molecular Weight331.4
XLogP9.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count15
Heavy Atom Count19
Formal Charge0
Complexity175
SMILES
CCCCCCCC/C=C\CCCCCCCCBr
InChI
InChI=1S/C18H35Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-18H2,1H3/b10-9-
InChIKey
RRQWVJIFKFIUJU-KTKRTIGZSA-N
Chemical Structure
2D Structure
2D structure of 9-Octadecene, 1-bromo-, (9Z)-
CAS: 6110-53-8
CID: 5840383
Formula: C18H35Br
MW: 331.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight331.4
XLogP39.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count15
Exact Mass330.19221
Monoisotopic Mass330.19221
Topological Polar Surface Area0 Ų
Heavy Atom Count19
Formal Charge0
Complexity175
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes