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3-Chlorophenetole

CAT: 0127-OR1095435-03Size: 10 gDry Ice: NoHazardous: No
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CAT#:0127-OR1095435-03Size:10 g
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CAS Number
2655-83-6
MDL Number
MFCD00672978
Purity
95%
Smiles
C1ccc (cc1Cl) OCC

Chemical Information

1-Chloro-3-ethoxybenzene
CAS Number2655-83-6
PubChem CID75866
IUPAC Name1-chloro-3-ethoxybenzene
Molecular FormulaC8H9ClO
Molecular Weight156.61
XLogP3.3
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity95
SMILES
CCOC1=CC(=CC=C1)Cl
InChI
InChI=1S/C8H9ClO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2H2,1H3
InChIKey
HNMYSCABMYNGTP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Chloro-3-ethoxybenzene
CAS: 2655-83-6
CID: 75866
Formula: C8H9ClO
MW: 156.61
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.61
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass156.0341926
Monoisotopic Mass156.0341926
Topological Polar Surface Area9.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity95.3
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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