Home Halogens Cyclopentanecarboxylic acid, 1-(2-chloro-4-fluorophenyl)-

Cyclopentanecarboxylic acid, 1-(2-chloro-4-fluorophenyl)-

CAS No.:
214263-01-1
Catalog Number:
AG007QK5
Molecular Formula:
C12H12ClFO2
Molecular Weight:
242.6739
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Product Description
Catalog Number:
AG007QK5
Chemical Name:
Cyclopentanecarboxylic acid, 1-(2-chloro-4-fluorophenyl)-
CAS Number:
214263-01-1
Molecular Formula:
C12H12ClFO2
Molecular Weight:
242.6739
MDL Number:
MFCD00800628
IUPAC Name:
1-(2-chloro-4-fluorophenyl)cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C12H12ClFO2/c13-10-7-8(14)3-4-9(10)12(11(15)16)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,15,16)
InChI Key:
RKEURCWSQHENQO-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Cl)C1(CCCC1)C(=O)O
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.674g/mol
Monoisotopic Mass:
242.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties