Home Carboxys Benzyl 3,3-Difluorocyclobutanecarboxylate

Benzyl 3,3-Difluorocyclobutanecarboxylate

CAS No.:
935273-86-2
Catalog Number:
AG0034I9
Molecular Formula:
C12H12F2O2
Molecular Weight:
226.2193
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Product Description
Catalog Number:
AG0034I9
Chemical Name:
Benzyl 3,3-Difluorocyclobutanecarboxylate
CAS Number:
935273-86-2
Molecular Formula:
C12H12F2O2
Molecular Weight:
226.2193
MDL Number:
MFCD18909480
IUPAC Name:
benzyl 3,3-difluorocyclobutane-1-carboxylate
InChI:
InChI=1S/C12H12F2O2/c13-12(14)6-10(7-12)11(15)16-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChI Key:
RRSMHVQRSRIXGF-UHFFFAOYSA-N
SMILES:
O=C(C1CC(C1)(F)F)OCc1ccccc1
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.081g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.223g/mol
Monoisotopic Mass:
226.081g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties