Home Carboxys 1,4,4-trifluorocyclohexane-1-carboxylic acid

1,4,4-trifluorocyclohexane-1-carboxylic acid

CAS No.:
1645565-22-5
Catalog Number:
AG01BI5Y
Molecular Formula:
C7H9F3O2
Molecular Weight:
182.1404
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BI5Y
Chemical Name:
1,4,4-trifluorocyclohexane-1-carboxylic acid
CAS Number:
1645565-22-5
Molecular Formula:
C7H9F3O2
Molecular Weight:
182.1404
MDL Number:
MFCD30750427
IUPAC Name:
1,4,4-trifluorocyclohexane-1-carboxylic acid
InChI:
InChI=1S/C7H9F3O2/c8-6(5(11)12)1-3-7(9,10)4-2-6/h1-4H2,(H,11,12)
InChI Key:
XBVSHLUDRLTMRJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1(F)CCC(CC1)(F)F
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.055g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.142g/mol
Monoisotopic Mass:
182.055g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties