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2- (4-Chlorophenoxy) Ethanol

CAT: 0127-OR1029457-02Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR1029457-02Size:25 g
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CAS Number
1892-43-9
Synonyms
2- (4-chlorophenoxy) ethanol
Purity
98%
Smiles
C1=CC(=CC=C1OCCO)Cl

Chemical Information

2-(4-Chlorophenoxy)ethanol

2-(4-chlorphenoxy)-ethanol is an aromatic ether.

CAS Number1892-43-9
PubChem CID15907
IUPAC Name2-(4-chlorophenoxy)ethanol
Molecular FormulaC8H9ClO2
Molecular Weight172.61
XLogP1.8
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity100
SMILES
C1=CC(=CC=C1OCCO)Cl
InChI
InChI=1S/C8H9ClO2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2
InChIKey
GEGSSUSEWOHAFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Chlorophenoxy)ethanol
CAS: 1892-43-9
CID: 15907
Formula: C8H9ClO2
MW: 172.61
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.61
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass172.0291072
Monoisotopic Mass172.0291072
Topological Polar Surface Area29.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity100
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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