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1,6-Dibromohex-3-ene

CAT: 0127-OR1060281-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1060281-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
75225-40-0
Purity
98%
Smiles
BrCCC=CCCBr

Chemical Information

1,6-Dibromohex-3-ene
CAS Number75225-40-0
PubChem CID13614245
IUPAC Name(E)-1,6-dibromohex-3-ene
Molecular FormulaC6H10Br2
Molecular Weight241.95
XLogP3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Heavy Atom Count8
Formal Charge0
Complexity51
SMILES
C(CBr)/C=C/CCBr
InChI
InChI=1S/C6H10Br2/c7-5-3-1-2-4-6-8/h1-2H,3-6H2/b2-1+
InChIKey
QBGNQGGJSCRVJJ-OWOJBTEDSA-N
Chemical Structure
2D Structure
2D structure of 1,6-Dibromohex-3-ene
CAS: 75225-40-0
CID: 13614245
Formula: C6H10Br2
MW: 241.95
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight241.95
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Exact Mass241.91288
Monoisotopic Mass239.91493
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity51.5
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