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827032-79-1 | 1,1-Cyclobutanedicarboxylic acid, 3,3-difluoro-, diethyl ester
CAS No: 827032-79-1 Catalog No: AG005A4N MDL No:
Product Description
Catalog Number:
AG005A4N
Chemical Name:
1,1-Cyclobutanedicarboxylic acid, 3,3-difluoro-, diethyl ester
CAS Number:
827032-79-1
Molecular Formula:
C10H14F2O4
Molecular Weight:
236.2126
IUPAC Name:
diethyl 3,3-difluorocyclobutane-1,1-dicarboxylate
InChI:
InChI=1S/C10H14F2O4/c1-3-15-7(13)9(8(14)16-4-2)5-10(11,12)6-9/h3-6H2,1-2H3
InChI Key:
JIIDZBJVMIDZAO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CC(C1)(F)F)C(=O)OCC
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.086g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.215g/mol
Monoisotopic Mass:
236.086g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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