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1,2-Dichloropropane-d6

CAT: 0572-TRC-D437405-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D437405-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
93952-08-0
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])C([2H])(Cl)C([2H])([2H])Cl
Molecular Formula
C3 D6 Cl2
Molecular Weight
119.02
InChI
InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3/i1D3,2D2,3D
Additionnal Information
IUPAC name: 1,2-dichloro-1,1,2,3,3,3-hexadeuterio-propane
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

Propane-1,1,1,2,3,3-d6, 2,3-dichloro-
CAS Number93952-08-0
PubChem CID12423103
IUPAC Name1,2-dichloro-1,1,2,3,3,3-hexadeuteriopropane
Molecular FormulaC3H6Cl2
Molecular Weight119.02
XLogP1.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity20
SMILES
[2H]C([2H])([2H])C([2H])(C([2H])([2H])Cl)Cl
InChI
InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3/i1D3,2D2,3D
InChIKey
KNKRKFALVUDBJE-LIDOUZCJSA-N
Chemical Structure
2D Structure
2D structure of Propane-1,1,1,2,3,3-d6, 2,3-dichloro-
CAS: 93952-08-0
CID: 12423103
Formula: C3H6Cl2
MW: 119.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight119.02
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass118.0223161
Monoisotopic Mass118.0223161
Topological Polar Surface Area0 Ų
Heavy Atom Count5
Formal Charge0
Complexity20.9
Isotope Atom Count6
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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