Home Carboxys Diisopropyl 3-fluorocyclobutane-1,1-dicarboxylate

Diisopropyl 3-fluorocyclobutane-1,1-dicarboxylate

CAS No.:
1403767-29-2
Catalog Number:
AG001CBC
Molecular Formula:
C12H19FO4
Molecular Weight:
246.2753
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Product Description
Catalog Number:
AG001CBC
Chemical Name:
Diisopropyl 3-fluorocyclobutane-1,1-dicarboxylate
CAS Number:
1403767-29-2
Molecular Formula:
C12H19FO4
Molecular Weight:
246.2753
MDL Number:
MFCD23105821
IUPAC Name:
dipropan-2-yl 3-fluorocyclobutane-1,1-dicarboxylate
InChI:
InChI=1S/C12H19FO4/c1-7(2)16-10(14)12(5-9(13)6-12)11(15)17-8(3)4/h7-9H,5-6H2,1-4H3
InChI Key:
PXUHGBULTZUZGA-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C1(CC(C1)F)C(=O)OC(C)C)C
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.127g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.278g/mol
Monoisotopic Mass:
246.127g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties