Home Carboxys 1-(difluoromethyl)-3,3-difluorocyclobutane-1-carboxylic acid

1-(difluoromethyl)-3,3-difluorocyclobutane-1-carboxylic acid

CAS No.:
1773508-58-9
Catalog Number:
AG01EKPS
Molecular Formula:
C6H6F4O2
Molecular Weight:
186.1043
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Product Description
Catalog Number:
AG01EKPS
Chemical Name:
1-(difluoromethyl)-3,3-difluorocyclobutane-1-carboxylic acid
CAS Number:
1773508-58-9
Molecular Formula:
C6H6F4O2
Molecular Weight:
186.1043
MDL Number:
MFCD31629107
IUPAC Name:
1-(difluoromethyl)-3,3-difluorocyclobutane-1-carboxylic acid
InChI:
InChI=1S/C6H6F4O2/c7-3(8)5(4(11)12)1-6(9,10)2-5/h3H,1-2H2,(H,11,12)
InChI Key:
ROWNOOHMOQZGNX-UHFFFAOYSA-N
SMILES:
FC(C1(CC(C1)(F)F)C(=O)O)F
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.03g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.106g/mol
Monoisotopic Mass:
186.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties