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259739-92-9 | Methyl 3,5-difluorobenzoylformate
CAS No: 259739-92-9 Catalog No: AG01FEIG MDL No:
Product Description
Catalog Number:
AG01FEIG
Chemical Name:
Methyl 3,5-difluorobenzoylformate
CAS Number:
259739-92-9
Molecular Formula:
C9H6F2O3
Molecular Weight:
200.1389
IUPAC Name:
methyl 2-(3,5-difluorophenyl)-2-oxoacetate
InChI:
InChI=1S/C9H6F2O3/c1-14-9(13)8(12)5-2-6(10)4-7(11)3-5/h2-4H,1H3
InChI Key:
NDKCDEFMQNHCBB-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)c1cc(F)cc(c1)F
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.029g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.141g/mol
Monoisotopic Mass:
200.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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