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1049030-30-9 | Ethyl 2,6-difluorobenzoylformate
CAS No: 1049030-30-9 Catalog No: AG01FEJA MDL No:
Product Description
Catalog Number:
AG01FEJA
Chemical Name:
Ethyl 2,6-difluorobenzoylformate
CAS Number:
1049030-30-9
Molecular Formula:
C10H8F2O3
Molecular Weight:
214.1655
IUPAC Name:
ethyl 2-(2,6-difluorophenyl)-2-oxoacetate
InChI:
InChI=1S/C10H8F2O3/c1-2-15-10(14)9(13)8-6(11)4-3-5-7(8)12/h3-5H,2H2,1H3
InChI Key:
RDOGFTKBJKBTOX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1c(F)cccc1F
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.168g/mol
Monoisotopic Mass:
214.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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