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1049131-01-2

1049131-01-2 | Ethyl 2,5-difluorobenzoylformate

CAS No: 1049131-01-2 Catalog No: AG01FEJB MDL No:

Product Description

Catalog Number:
AG01FEJB
Chemical Name:
Ethyl 2,5-difluorobenzoylformate
CAS Number:
1049131-01-2
Molecular Formula:
C10H8F2O3
Molecular Weight:
214.1655
IUPAC Name:
ethyl 2-(2,5-difluorophenyl)-2-oxoacetate
InChI:
InChI=1S/C10H8F2O3/c1-2-15-10(14)9(13)7-5-6(11)3-4-8(7)12/h3-5H,2H2,1H3
InChI Key:
KGVVMDPRFGTZKT-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1cc(F)ccc1F

Properties

Complexity:
255  
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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