1- (3-ethoxy-2-fluorophenyl) cyclobutanol

CAT: 0127-PC1019187-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1019187-01Size:250 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2918872-46-3

MDL Number

MFCD34772153

Purity

95%

Smiles

C1 (cccc (c1F) C1 (O) CCC1) OCC

Chemical Information

1-(3-Ethoxy-2-fluorophenyl)cyclobutan-1-ol

CAS Number	2918872-46-3
PubChem CID	177686100
IUPAC Name	1-(3-ethoxy-2-fluorophenyl)cyclobutan-1-ol
Molecular Formula	C12H15FO2
Molecular Weight	210.24
XLogP	2.2
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	216

SMILES

CCOC1=CC=CC(=C1F)C2(CCC2)O

InChI

InChI=1S/C12H15FO2/c1-2-15-10-6-3-5-9(11(10)13)12(14)7-4-8-12/h3,5-6,14H,2,4,7-8H2,1H3

InChIKey

VEQQFONSNUCTCC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2918872-46-3

CID: 177686100

Formula: C12H15FO2

MW: 210.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.24
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	210.10560788
Monoisotopic Mass	210.10560788
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	216
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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