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1-Iodo-2,2-dimethylpropane

CAT: 0127-OR1022925-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1022925-01Size:100 mg
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CAS Number
15501-33-4
Synonyms
1-iodo-2,2-dimethylpropane
MDL Number
MFCD00001083
Purity
98%
Smiles
CC(C)(C)CI

Chemical Information

Propane, 1-iodo-2,2-dimethyl-
CAS Number15501-33-4
PubChem CID84953
IUPAC Name1-iodo-2,2-dimethylpropane
Molecular FormulaC5H11I
Molecular Weight198.05
XLogP3.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity33
SMILES
CC(C)(C)CI
InChI
InChI=1S/C5H11I/c1-5(2,3)4-6/h4H2,1-3H3
InChIKey
CJTZXIJETZZARD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propane, 1-iodo-2,2-dimethyl-
CAS: 15501-33-4
CID: 84953
Formula: C5H11I
MW: 198.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.05
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass197.99055
Monoisotopic Mass197.99055
Topological Polar Surface Area0 Ų
Heavy Atom Count6
Formal Charge0
Complexity33.7
Isotope Atom Count0
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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Alternative Products

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sc-2297911-Iodo-2,2-dimethylpropane
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TRC-B391975-500MG1-Bromo-2,2-dimethylpropane
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