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Home > Fluorides > 1032506-99-2
1032506-99-2 | 4-(3,4-Difluoro-phenyl)-3-oxo-butyric acid methyl ester
CAS No: 1032506-99-2 Catalog No: AG01F7ML MDL No:MFCD08457118
Product Description
Catalog Number:
AG01F7ML
Chemical Name:
4-(3,4-Difluoro-phenyl)-3-oxo-butyric acid methyl ester
CAS Number:
1032506-99-2
Molecular Formula:
C11H10F2O3
Molecular Weight:
228.1921
MDL Number:
MFCD08457118
IUPAC Name:
methyl 4-(3,4-difluorophenyl)-3-oxobutanoate
InChI:
InChI=1S/C11H10F2O3/c1-16-11(15)6-8(14)4-7-2-3-9(12)10(13)5-7/h2-3,5H,4,6H2,1H3
InChI Key:
IAZITLRYEREOAD-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)Cc1ccc(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:
1.8
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