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1248202-12-1 | Methyl 4-(3,4-difluorophenyl)-4-oxobutyrate
CAS No: 1248202-12-1 Catalog No: AG01FAVP MDL No:
Product Description
Catalog Number:
AG01FAVP
Chemical Name:
Methyl 4-(3,4-difluorophenyl)-4-oxobutyrate
CAS Number:
1248202-12-1
Molecular Formula:
C11H10F2O3
Molecular Weight:
228.1921
IUPAC Name:
methyl 4-(3,4-difluorophenyl)-4-oxobutanoate
InChI:
InChI=1S/C11H10F2O3/c1-16-11(15)5-4-10(14)7-2-3-8(12)9(13)6-7/h2-3,6H,4-5H2,1H3
InChI Key:
VEBICORUQQTJDY-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(=O)c1ccc(c(c1)F)F
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.06g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.195g/mol
Monoisotopic Mass:
228.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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