Home Other Building Blocks 2-{[1-(trifluoromethyl)cyclohexyl]oxy}acetic acid

2-{[1-(trifluoromethyl)cyclohexyl]oxy}acetic acid

CAS No.:
1803581-01-2
Catalog Number:
AG01B1L4
Molecular Formula:
C9H13F3O3
Molecular Weight:
226.1929
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Product Description
Catalog Number:
AG01B1L4
Chemical Name:
2-{[1-(trifluoromethyl)cyclohexyl]oxy}acetic acid
CAS Number:
1803581-01-2
Molecular Formula:
C9H13F3O3
Molecular Weight:
226.1929
MDL Number:
MFCD27980940
IUPAC Name:
2-[1-(trifluoromethyl)cyclohexyl]oxyacetic acid
InChI:
InChI=1S/C9H13F3O3/c10-9(11,12)8(15-6-7(13)14)4-2-1-3-5-8/h1-6H2,(H,13,14)
InChI Key:
MDGHIKUJJNJWBI-UHFFFAOYSA-N
SMILES:
OC(=O)COC1(CCCCC1)C(F)(F)F
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.082g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.195g/mol
Monoisotopic Mass:
226.082g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties