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Oleyl Chloride

CAT: 0926-RAA50761-05Size: 500 mLDry Ice: NoHazardous: No
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CAT#:0926-RAA50761-05Size:500 mL
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CAS Number
16507-61-2
MDL Number
MFCD00058939
Smiles
CCCCCCCCC=CCCCCCCCCCl
Molecular Formula
C18H35Cl
Molecular Weight
286.93 g/mol
Controlled
No

Chemical Information

9-Octadecene, 1-chloro-
CAS Number16507-61-2
PubChem CID5367784
IUPAC Name(Z)-1-chlorooctadec-9-ene
Molecular FormulaC18H35Cl
Molecular Weight286.9
XLogP9.2
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\CCCCCCCCCl
InChI
InChI=1S/C18H35Cl/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
IFABLCIRROMTAN-KTKRTIGZSA-N
Chemical Structure
2D Structure
2D structure of 9-Octadecene, 1-chloro-
CAS: 16507-61-2
CID: 5367784
Formula: C18H35Cl
MW: 286.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight286.9
XLogP39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count15
Exact Mass286.2427288
Monoisotopic Mass286.2427288
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