Home Carboxys 1-(difluoromethyl)cyclohexane-1-carboxylic acid

1-(difluoromethyl)cyclohexane-1-carboxylic acid

CAS No.:
1781320-56-6
Catalog Number:
AG01A6CE
Molecular Formula:
C8H12F2O2
Molecular Weight:
178.1765
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Product Description
Catalog Number:
AG01A6CE
Chemical Name:
1-(difluoromethyl)cyclohexane-1-carboxylic acid
CAS Number:
1781320-56-6
Molecular Formula:
C8H12F2O2
Molecular Weight:
178.1765
MDL Number:
MFCD27959346
IUPAC Name:
1-(difluoromethyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C8H12F2O2/c9-6(10)8(7(11)12)4-2-1-3-5-8/h6H,1-5H2,(H,11,12)
InChI Key:
SJBBIXFGRIPQOY-UHFFFAOYSA-N
SMILES:
FC(C1(CCCCC1)C(=O)O)F
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.081g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.179g/mol
Monoisotopic Mass:
178.081g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties