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1- (2-Chloroethoxy) -2-methylcyclohexane

CAT: 0926-UTB27374-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-UTB27374-01Size:100 mg
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CAS Number
1094273-74-1
MDL Number
MFCD11164766
Smiles
CC1CCCCC1OCCCl
Molecular Formula
C9H17ClO
Molecular Weight
176.68 g/mol
Controlled
No

Chemical Information

1-(2-Chloroethoxy)-2-methylcyclohexane
CAS Number1094273-74-1
PubChem CID43135609
IUPAC Name1-(2-chloroethoxy)-2-methylcyclohexane
Molecular FormulaC9H17ClO
Molecular Weight176.68
XLogP2.9
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity106
SMILES
CC1CCCCC1OCCCl
InChI
InChI=1S/C9H17ClO/c1-8-4-2-3-5-9(8)11-7-6-10/h8-9H,2-7H2,1H3
InChIKey
QVPLQHPIDIZPJB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Chloroethoxy)-2-methylcyclohexane
CAS: 1094273-74-1
CID: 43135609
Formula: C9H17ClO
MW: 176.68
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight176.68
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass176.0967929
Monoisotopic Mass176.0967929
Topological Polar Surface Area9.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity106
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes