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Home > Fluorides > 1032507-05-3
1032507-05-3 | 4-(2,5-Difluoro-phenyl)-3-oxo-butyric acid ethyl ester
CAS No: 1032507-05-3 Catalog No: AG01F7VQ MDL No:
Product Description
Catalog Number:
AG01F7VQ
Chemical Name:
4-(2,5-Difluoro-phenyl)-3-oxo-butyric acid ethyl ester
CAS Number:
1032507-05-3
Molecular Formula:
C12H12F2O3
Molecular Weight:
242.2187
IUPAC Name:
ethyl 4-(2,5-difluorophenyl)-3-oxobutanoate
InChI:
InChI=1S/C12H12F2O3/c1-2-17-12(16)7-10(15)6-8-5-9(13)3-4-11(8)14/h3-5H,2,6-7H2,1H3
InChI Key:
BQQUBGKTQHWJAY-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)Cc1cc(F)ccc1F
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.222g/mol
Monoisotopic Mass:
242.075g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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