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Home Carboxys 1-(4-Chlorophenyl)cyclopentane-1-carboxylic acid

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

CAS No.:
80789-69-1
Catalog Number:
AG0051EX
Molecular Formula:
C12H13ClO2
Molecular Weight:
224.6834
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
98%
In Stock USA
United States
$94
- +
25g
98%
In Stock USA
United States
$350
- +
100g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG0051EX
Chemical Name:
1-(4-Chlorophenyl)cyclopentane-1-carboxylic acid
CAS Number:
80789-69-1
Molecular Formula:
C12H13ClO2
Molecular Weight:
224.6834
MDL Number:
MFCD00001373
IUPAC Name:
1-(4-chlorophenyl)cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C12H13ClO2/c13-10-5-3-9(4-6-10)12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2,(H,14,15)
InChI Key:
QJNFJEMGWIQMJT-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCCC1)c1ccc(cc1)Cl
EC Number:
279-552-1
NSC Number:
123457
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.06g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.684g/mol
Monoisotopic Mass:
224.06g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Syntheses, molecular structures, electrochemical behavior, theoretical study, and antitumor activities of organotin(IV) complexes containing 1-(4-chlorophenyl)-1-cyclopentanecarboxylato ligands. Inorganic chemistry 20110905
Properties