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4- (4-Chlorophenyl) cyclohexanecarboxylic acid

CAT: 0013-GTR19250742-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19250742-02Size:5 g
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Description
4- (4-Chlorophenyl) cyclohexanecarboxylic acid
CAS Number
49708-81-8
Product Name Alternative
Compound PDK0242
Smiles
OC (=O) [C@H]1CC[C@@H] (CC1) c1ccc (Cl) cc1
Molecular Formula
C9H13NO
Molecular Weight
151.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

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

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CAS Number49708-81-8
PubChem CID2735792
IUPAC Name4-(4-chlorophenyl)cyclohexane-1-carboxylic acid
Molecular FormulaC13H15ClO2
Molecular Weight238.71
XLogP3.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity238
SMILES
C1CC(CCC1C2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C13H15ClO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h5-9,11H,1-4H2,(H,15,16)
InChIKey
NXXDIEYTMQYWJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Chlorophenyl)cyclohexane-1-carboxylic acid
CAS: 49708-81-8
CID: 2735792
Formula: C13H15ClO2
MW: 238.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.71
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass238.0760574
Monoisotopic Mass238.0760574
Topological Polar Surface Area37.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity238
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
269531-014- (4-Chlorophenyl) cyclohexanecarboxylic acid
ICA880371- (4-Chlorophenyl) cyclohexanecarboxylic acid
AR-A02879-014- (2-chlorophenyl) cyclohexanecarboxylic acid
AR-A02880-014- (3-chlorophenyl) cyclohexanecarboxylic acid
TRC-C379470-25MGcis-4-(4-Chlorophenyl)cyclohexanecarboxylic Acid
TRC-C379455-500MGtrans-4-(4-Chlorophenyl)cyclohexanecarboxylic Acid
sc-501201Trans-4- (4-Chlorophenyl) cyclohexanecarboxylic Acid
sc-501203Cis-4- (4-Chlorophenyl) cyclohexanecarboxylic Acid
AR-A02876-01Rel-trans--4- (4-chlorophenyl) cyclohexanecarboxylic acid
FC121730-012-{[ (4-Chlorophenyl) amino]carbonyl}cyclohexanecarboxylic acid

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