4- (2-chlorophenyl) cyclohexanecarboxylic acid

CAT: 1596-AR-A02879-02Size: 25 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-A02879-02Size:25 Units

Selected

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

Quick Request Actions

CAS Number

1368749-51-2

Synonyms

4- (2-chlorophenyl) cyclohexanecarboxylic acid

Molecular Formula

C13H15ClO2

Molecular Weight

238.71

API Name

Atovaquone

Chemical Information

4-(2-Chlorophenyl)cyclohexane-1-carboxylic acid

CAS Number	1368749-51-2
PubChem CID	18597617
IUPAC Name	4-(2-chlorophenyl)cyclohexane-1-carboxylic acid
Molecular Formula	C13H15ClO2
Molecular Weight	238.71
XLogP	3.7
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	246

SMILES

C1CC(CCC1C2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C13H15ClO2/c14-12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(15)16/h1-4,9-10H,5-8H2,(H,15,16)

InChIKey

WVKUFCLPSAKMMW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1368749-51-2

CID: 18597617

Formula: C13H15ClO2

MW: 238.71

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.71
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	238.0760574
Monoisotopic Mass	238.0760574
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	246
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
AR-A02880-01	4- (3-chlorophenyl) cyclohexanecarboxylic acid
AR-A02876-01	Rel-trans--4- (4-chlorophenyl) cyclohexanecarboxylic acid
AR-M03083-01	Cyclohexanecarboxylic acid
AR-B01008-01	3- (4-chlorophenyl) -4-hydroxybutanoic acid
AR-B01006-01	3- (4-chlorophenyl) pentanedioic acid
AR-M52644-01	4- (2-Chlorophenyl) -4-piperidinol
AR-C08620-01	Cyclohexanecarboxylic Anhydride
AR-A06183-01	4- (2-Chlorophenyl) -Butan-2-Amine
AR-F01340-01	(4-chlorophenyl) (2-hydroxyphenyl) methanone
AR-M04521-01	3- (2-Chlorophenyl) -3-Oxopropanoic Acid

Catalog	Name
ICA88037	1- (4-Chlorophenyl) cyclohexanecarboxylic acid
269531-01	4- (4-Chlorophenyl) cyclohexanecarboxylic acid
sc-332561A	1- (3-chlorophenyl) cyclohexanecarboxylic acid
FC121730-01	2-{[ (4-Chlorophenyl) amino]carbonyl}cyclohexanecarboxylic acid
TRC-C379470-25MG	cis-4-(4-Chlorophenyl)cyclohexanecarboxylic Acid
TRC-C379455-1G	trans-4-(4-Chlorophenyl)cyclohexanecarboxylic Acid
sc-501203	Cis-4- (4-Chlorophenyl) cyclohexanecarboxylic Acid
sc-501201	Trans-4- (4-Chlorophenyl) cyclohexanecarboxylic Acid
sc-335302	2-Phenyl-cyclohexanecarboxylic acid
OR1063266-01	2- (Methoxycarbonyl) cyclohexanecarboxylic acid