5-Ethoxy-2-fluoro-3-methylphenol

CAT: 0127-PC1016096-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1016096-01Size:250 mg

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CAS Number

2384963-47-5

MDL Number

MFCD34756849

Purity

95%

Smiles

C1 (cc (c (c (c1) O) F) C) OCC

Chemical Information

5-Ethoxy-2-fluoro-3-methylphenol

CAS Number	2384963-47-5
PubChem CID	164891522
IUPAC Name	5-ethoxy-2-fluoro-3-methylphenol
Molecular Formula	C9H11FO2
Molecular Weight	170.18
XLogP	2.4
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	140

SMILES

CCOC1=CC(=C(C(=C1)C)F)O

InChI

InChI=1S/C9H11FO2/c1-3-12-7-4-6(2)9(10)8(11)5-7/h4-5,11H,3H2,1-2H3

InChIKey

IIOKLSRJVZGMMX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2384963-47-5

CID: 164891522

Formula: C9H11FO2

MW: 170.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.18
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	170.07430775
Monoisotopic Mass	170.07430775
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	140
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

Catalog	Name
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