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13249-60-0

13249-60-0 | 1-Octene, 2-bromo-

CAS No: 13249-60-0 Catalog No: AG0010QV MDL No:MFCD00671860

Product Description

Catalog Number:
AG0010QV
Chemical Name:
1-Octene, 2-bromo-
CAS Number:
13249-60-0
Molecular Formula:
C8H15Br
Molecular Weight:
191.1087
MDL Number:
MFCD00671860
IUPAC Name:
2-bromooct-1-ene
InChI:
InChI=1S/C8H15Br/c1-3-4-5-6-7-8(2)9/h2-7H2,1H3
InChI Key:
NLKXPBFMZLDRSX-UHFFFAOYSA-N
SMILES:
CCCCCCC(=C)Br

Properties

Complexity:
76.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.036g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.112g/mol
Monoisotopic Mass:
190.036g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  

Literature

Title Journal
In situ generation of vinyl allenes and its applications to one-pot assembly of cyclohexene, cyclooctadiene, 3,7-nonadienone, and bicyclo[6.4.0]dodecene derivatives with palladium-catalyzed multicomponent reactions. Journal of the American Chemical Society 20060201

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