Home Carboxys 1,2,2-Trifluorocyclohexanecarboxylic Acid

1,2,2-Trifluorocyclohexanecarboxylic Acid

CAS No.:
1784919-58-9
Catalog Number:
AG00HZUC
Molecular Formula:
C7H9F3O2
Molecular Weight:
182.1404
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Product Description
Catalog Number:
AG00HZUC
Chemical Name:
1,2,2-Trifluorocyclohexanecarboxylic Acid
CAS Number:
1784919-58-9
Molecular Formula:
C7H9F3O2
Molecular Weight:
182.1404
MDL Number:
MFCD27997485
IUPAC Name:
1,2,2-trifluorocyclohexane-1-carboxylic acid
InChI:
InChI=1S/C7H9F3O2/c8-6(5(11)12)3-1-2-4-7(6,9)10/h1-4H2,(H,11,12)
InChI Key:
JYFQSOQHJWRRMS-UHFFFAOYSA-N
SMILES:
OC(=O)C1(F)CCCCC1(F)F
Properties
Complexity:
205  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties