2- (5-Ethoxy-2-fluorophenyl) propan-2-ol

CAT: 0127-PC1016698Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC1016698Size:1 g

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CAS Number

2586127-02-6

MDL Number

MFCD32902835

Purity

97%

Smiles

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

Chemical Information

2-(5-Ethoxy-2-fluorophenyl)propan-2-ol

CAS Number	2586127-02-6
PubChem CID	163198125
IUPAC Name	2-(5-ethoxy-2-fluorophenyl)propan-2-ol
Molecular Formula	C11H15FO2
Molecular Weight	198.23
XLogP	2.1
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	182

SMILES

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

InChI

InChI=1S/C11H15FO2/c1-4-14-8-5-6-10(12)9(7-8)11(2,3)13/h5-7,13H,4H2,1-3H3

InChIKey

TXKAXKIIRWLIKS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2586127-02-6

CID: 163198125

Formula: C11H15FO2

MW: 198.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.23
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	198.10560788
Monoisotopic Mass	198.10560788
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	182
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

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