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Isobutoxymethyl Chloride

CAT: 0572-TRC-I525430-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I525430-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
34180-11-5
Hazard Statement
No Data Available
Smiles
CC(C)COCCl
Molecular Formula
C5 H11 Cl O
Molecular Weight
122.593
InChI
InChI=1S/C5H11ClO/c1-5(2)3-7-4-6/h5H,3-4H2,1-2H3
Additionnal Information
IUPAC name: 1-(chloromethoxy)-2-methylpropane
Shipping Conditions
Room Temperature

Chemical Information

Propane, 1-(chloromethoxy)-2-methyl-
CAS Number34180-11-5
PubChem CID118609
IUPAC Name1-(chloromethoxy)-2-methylpropane
Molecular FormulaC5H11ClO
Molecular Weight122.59
XLogP2.1
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity37
SMILES
CC(C)COCCl
InChI
InChI=1S/C5H11ClO/c1-5(2)3-7-4-6/h5H,3-4H2,1-2H3
InChIKey
RRRBNCDKPVHUNU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propane, 1-(chloromethoxy)-2-methyl-
CAS: 34180-11-5
CID: 118609
Formula: C5H11ClO
MW: 122.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.59
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass122.0498427
Monoisotopic Mass122.0498427
Topological Polar Surface Area9.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity37.1
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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