4- (4-fluorophenyl) -4-hydroxycyclohexanone

CAT: 0127-PC1021476-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1021476-01Size:250 mg

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CAS Number

36716-69-5

MDL Number

MFCD21321193

Purity

97%

Smiles

C1c (ccc (c1) C1 (CCC (=O) CC1) O) F

Chemical Information

4-(4-Fluorophenyl)-4-hydroxycyclohexan-1-one

CAS Number	36716-69-5
PubChem CID	22395364
IUPAC Name	4-(4-fluorophenyl)-4-hydroxycyclohexan-1-one
Molecular Formula	C12H13FO2
Molecular Weight	208.23
XLogP	1.2
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	234

SMILES

C1CC(CCC1=O)(C2=CC=C(C=C2)F)O

InChI

InChI=1S/C12H13FO2/c13-10-3-1-9(2-4-10)12(15)7-5-11(14)6-8-12/h1-4,15H,5-8H2

InChIKey

JFJXHTCDSDMHPT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 36716-69-5

CID: 22395364

Formula: C12H13FO2

MW: 208.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.23
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	208.08995782
Monoisotopic Mass	208.08995782
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	234
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
PC1001074	4- (4-Fluorophenyl) -3-fluorophenol
OR1068074-01	3-Hydroxycyclohexanone
OR1026454-01	2-Hydroxycyclohexanone
PC902385-01	4- (4-Fluorophenyl) benzonitrile
PC100912-01	4- (4-Fluorophenyl) oxazole
PC1762	4-Fluorophenyl 4-iodobenzoate
PC1002755-01	4- (4-Fluorophenyl) quinoline
PC4519-01	4- (4-Fluorophenyl) thiosemicarbazide
PC200506-01	Methyl 4- (4-fluorophenyl) -4-oxobutanoate
PC6366	4- (4-Fluorophenyl) -4-hydroxypiperidine hydrochloride

Catalog	Name
278697-01	4-Hydroxycyclohexanone
sc-206760	4- (4-Chlorophenyl) -4-hydroxycyclohexanone
TRC-C379535-500MG	4-(4-Chlorophenyl)-4-hydroxycyclohexanone
sc-267558	4-Hydroxycyclohexanone ethylene acetal
abx184612-01	4-Hydroxycyclohexanone monoethylene ketal
sc-277107	4-Benzo[1,3]dioxol-5-yl-4-hydroxycyclohexanone
277893-01	4- (4-Fluorophenyl) -4-hydroxypiperidine
TRC-F489665-10G	4-(4-Fluorophenyl)-4-piperidinol
429173-01	4- (4-Fluorophenyl) -4-piperidinol
FF97188	4- (4-Fluorophenyl) cyclohexanone