1- (2-Fluorophenyl) cyclohexanecarboxylic acid

CAT: 0127-PC1003354-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1003354-02Size:250 mg

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CAS Number

106795-66-8

MDL Number

MFCD00800623

Purity

95%

Smiles

O=C(C1(C2=CC=CC=C2F)CCCCC1)O

Chemical Information

1-(2-Fluorophenyl)cyclohexanecarboxylic acid

CAS Number	106795-66-8
PubChem CID	2733240
IUPAC Name	1-(2-fluorophenyl)cyclohexane-1-carboxylic acid
Molecular Formula	C13H15FO2
Molecular Weight	222.25
XLogP	3.5
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	259

SMILES

C1CCC(CC1)(C2=CC=CC=C2F)C(=O)O

InChI

InChI=1S/C13H15FO2/c14-11-7-3-2-6-10(11)13(12(15)16)8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2,(H,15,16)

InChIKey

ODLLDVJLQPBPPC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 106795-66-8

CID: 2733240

Formula: C13H15FO2

MW: 222.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	222.25
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	222.10560788
Monoisotopic Mass	222.10560788
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	259
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
PC1002429-01	1- (3-Fluorophenyl) cyclohexanecarboxylic acid
PC530023-01	1- (4-Fluorophenyl) cyclohexanecarboxylic acid
OR939113-01	2-Methyl-1-cyclohexanecarboxylic acid
OR1063266-01	2- (Methoxycarbonyl) cyclohexanecarboxylic acid
BUP18049	Cyclohexanecarboxylic Acid
OR40331-01	Cyclohexanecarboxylic acid
OR308193	Cis-2-Amino-1-cyclohexanecarboxylic acid
OR10250	2- (Cyclopropylcarbamoyl) cyclohexanecarboxylic acid
PC520811-01	2- (Trifluoromethyl) cyclohexanecarboxylic acid
OR78046-01	1- (2- (Benzyloxy) ethyl) cyclohexanecarboxylic acid

Catalog	Name
sc-332601	1- (3-fluorophenyl) cyclohexanecarboxylic acid
sc-332922A	1- (4-fluorophenyl) cyclohexanecarboxylic acid
sc-332143	1- (2-Chloro-4-fluorophenyl) cyclohexanecarboxylic acid
FF168924-01	2- ((4- (2-Fluorophenyl) piperazinyl) carbonyl) cyclohexanecarboxylic acid
sc-335302	2-Phenyl-cyclohexanecarboxylic acid
sc-308103	2-Isobutylcarbamoyl-cyclohexanecarboxylic acid
FC169128-01	2- (N-cyclopropylcarbamoyl) cyclohexanecarboxylic acid
sc-304343	2- (1-Azepanylcarbonyl) cyclohexanecarboxylic acid
sc-282690	2- (4-methylbenzoyl) cyclohexanecarboxylic acid
TRC-M295390-250MG	2-Methyl-1-cyclohexanecarboxylic Acid