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1,4-Dibromopentane

CAT: 0024-sc-237754Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-237754Size:25 g
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CAS Number
626-87-9

Chemical Information

1,4-Dibromopentane
CAS Number626-87-9
PubChem CID79082
IUPAC Name1,4-dibromopentane
Molecular FormulaC5H10Br2
Molecular Weight229.94
XLogP2.9
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity37
SMILES
CC(CCCBr)Br
InChI
InChI=1S/C5H10Br2/c1-5(7)3-2-4-6/h5H,2-4H2,1H3
InChIKey
CNBFRBXEGGRSPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Dibromopentane
CAS: 626-87-9
CID: 79082
Formula: C5H10Br2
MW: 229.94
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight229.94
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass229.91288
Monoisotopic Mass227.91493
Topological Polar Surface Area0 Ų
Heavy Atom Count7
Formal Charge0
Complexity37.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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