Home Halogens 1-(2,4-dichlorophenyl)cyclohexane-1-carboxylic acid

1-(2,4-dichlorophenyl)cyclohexane-1-carboxylic acid

CAS No.:
1039952-20-9
Catalog Number:
AG01C3WE
Molecular Formula:
C13H14Cl2O2
Molecular Weight:
273.1551
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Product Description
Catalog Number:
AG01C3WE
Chemical Name:
1-(2,4-dichlorophenyl)cyclohexane-1-carboxylic acid
CAS Number:
1039952-20-9
Molecular Formula:
C13H14Cl2O2
Molecular Weight:
273.1551
MDL Number:
MFCD11037151
IUPAC Name:
1-(2,4-dichlorophenyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C13H14Cl2O2/c14-9-4-5-10(11(15)8-9)13(12(16)17)6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,16,17)
InChI Key:
AFBIJLOTJNPIIN-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)C1(CCCCC1)C(=O)O
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.037g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
273.153g/mol
Monoisotopic Mass:
272.037g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties