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1-Bromopentane-d11

CAT: 0572-TRC-B686247-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B686247-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
126840-21-9
Synonyms
Pentane-1,1,1,2,2,3,3,4,4,5,5-d11, 5-bromo- (9CI, ACI); 5-Bromopentane-1,1,1,2,2,3,3,4,4,5,5-d11 (ACI); 1-Bromo-1,1,2,2,3,3,4,4,5,5,5-undecadeuteriopentane; Pentyl-d11 bromide; 1-Bromopentane-d11; 1-Bromopentane-D11; 1-Bromopentane-1,1,2,2,3,3,4,4,5,5,5-d11
Hazard Statement
Flammable liquid and vapour; UN number: UN1993; Packing Group: III
Smiles
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Br
Molecular Formula
C5 D11 Br
Molecular Weight
162.113
InChI
InChI=1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3/i1D3,2D2,3D2,4D2,5D2
Additionnal Information
IUPAC name: 1-bromo-1,1,2,2,3,3,4,4,5,5,5-undecadeuteriopentane
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-Bromo(2H11)pentane
CAS Number126840-21-9
PubChem CID10964821
IUPAC Name1-bromo-1,1,2,2,3,3,4,4,5,5,5-undecadeuteriopentane
Molecular FormulaC5H11Br
Molecular Weight162.11
XLogP3.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Heavy Atom Count6
Formal Charge0
Complexity19
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Br
InChI
InChI=1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3/i1D3,2D2,3D2,4D2,5D2
InChIKey
YZWKKMVJZFACSU-GILSBCIXSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromo(2H11)pentane
CAS: 126840-21-9
CID: 10964821
Formula: C5H11Br
MW: 162.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.11
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass161.07346
Monoisotopic Mass161.07346
Topological Polar Surface Area0 Ų
Heavy Atom Count6
Formal Charge0
Complexity19.9
Isotope Atom Count11
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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