1- (2-fluorophenyl) cycloheptanol

CAT: 0127-PC1009731-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1009731-01Size:250 mg

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CAS Number

1250035-67-6

MDL Number

MFCD16779260

Purity

95%

Smiles

C1 (c (cccc1) C1 (O) CCCCCC1) F

Chemical Information

1-(2-Fluorophenyl)cycloheptanol

CAS Number	1250035-67-6
PubChem CID	62490539
IUPAC Name	1-(2-fluorophenyl)cycloheptan-1-ol
Molecular Formula	C13H17FO
Molecular Weight	208.27
XLogP	3.3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	197

SMILES

C1CCCC(CC1)(C2=CC=CC=C2F)O

InChI

InChI=1S/C13H17FO/c14-12-8-4-3-7-11(12)13(15)9-5-1-2-6-10-13/h3-4,7-8,15H,1-2,5-6,9-10H2

InChIKey

HFDCGCUPSVCXGU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1250035-67-6

CID: 62490539

Formula: C13H17FO

MW: 208.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.27
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	208.126343324
Monoisotopic Mass	208.126343324
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	197
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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PC1010463-01	1- (2,3-difluorophenyl) cycloheptanol
PC1025565-01	1- (2,5-difluorophenyl) cycloheptanol
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PC1025523-01	1- (2-fluorophenyl) cyclopentanol
PC1008996-01	1- (2-fluorophenyl) cyclohexanol

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