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Home > Fluorides > 840521-79-1
840521-79-1 | Ethyl 4,4-Difluoro-2-methoxy-3-oxobutyrate
CAS No: 840521-79-1 Catalog No: AG01FBF5 MDL No:MFCD06657943
Product Description
Catalog Number:
AG01FBF5
Chemical Name:
Ethyl 4,4-Difluoro-2-methoxy-3-oxobutyrate
CAS Number:
840521-79-1
Molecular Formula:
C7H10F2O4
Molecular Weight:
196.1487
MDL Number:
MFCD06657943
IUPAC Name:
ethyl 4,4-difluoro-2-methoxy-3-oxobutanoate
InChI:
InChI=1S/C7H10F2O4/c1-3-13-7(11)5(12-2)4(10)6(8)9/h5-6H,3H2,1-2H3
InChI Key:
LMNQHSHJXFKRQY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)C(F)F)OC
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.055g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.15g/mol
Monoisotopic Mass:
196.055g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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