3-Chloro-4-ethylphenol

CAT: 0127-OR1045178-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1045178-01Size:100 mg

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CAS Number

1243290-06-3

Purity

95%

Smiles

OC1=CC=C(CC)C(Cl)=C1

Chemical Information

3-Chloro-4-ethylphenol

CAS Number	1243290-06-3
PubChem CID	18419379
IUPAC Name	3-chloro-4-ethylphenol
Molecular Formula	C8H9ClO
Molecular Weight	156.61
XLogP	3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	105

SMILES

CCC1=C(C=C(C=C1)O)Cl

InChI

InChI=1S/C8H9ClO/c1-2-6-3-4-7(10)5-8(6)9/h3-5,10H,2H2,1H3

InChIKey

KAAUEKCDBCEPPL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1243290-06-3

CID: 18419379

Formula: C8H9ClO

MW: 156.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.61
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	156.0341926
Monoisotopic Mass	156.0341926
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	105
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes