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2,2,2-Trichloroethanol-13C2,D2

CAT: 0572-TRC-T774107-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T774107-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1216995-48-0
Hazard Statement
No Data Available
Smiles
[2H][13C]([2H])(O)[13C](Cl)(Cl)Cl
Molecular Formula
13C2 D2 H Cl3 O
Molecular Weight
153.401
InChI
InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2/i1+1D2,2+1
Additionnal Information
IUPAC name: 2,2,2-trichloro-1,1-dideuterio(1,2-13C2)ethanol
Shipping Conditions
Room Temperature

Chemical Information

2,2,2-Trichloroethanol-13C2,D2
CAS Number1216995-48-0
PubChem CID57369139
IUPAC Name2,2,2-trichloro-1,1-dideuterio(1,2-13C2)ethanol
Molecular FormulaC2H3Cl3O
Molecular Weight153.40
XLogP1.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity38
SMILES
[2H][13C]([2H])([13C](Cl)(Cl)Cl)O
InChI
InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2/i1+1D2,2+1
InChIKey
KPWDGTGXUYRARH-HDZHEIKLSA-N
Chemical Structure
2D Structure
2D structure of 2,2,2-Trichloroethanol-13C2,D2
CAS: 1216995-48-0
CID: 57369139
Formula: C2H3Cl3O
MW: 153.40
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight153.40
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass151.944211
Monoisotopic Mass151.944211
Topological Polar Surface Area20.2 Ų
Heavy Atom Count6
Formal Charge0
Complexity38.5
Isotope Atom Count4
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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