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951888-22-5 | Ethyl 2,5-dichlorobenzoylformate
CAS No: 951888-22-5 Catalog No: AG01FES1 MDL No:
Product Description
Catalog Number:
AG01FES1
Chemical Name:
Ethyl 2,5-dichlorobenzoylformate
CAS Number:
951888-22-5
Molecular Formula:
C10H8Cl2O3
Molecular Weight:
247.0747
IUPAC Name:
ethyl 2-(2,5-dichlorophenyl)-2-oxoacetate
InChI:
InChI=1S/C10H8Cl2O3/c1-2-15-10(14)9(13)7-5-6(11)3-4-8(7)12/h3-5H,2H2,1H3
InChI Key:
OUWSHRVGVNBTAE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1cc(Cl)ccc1Cl
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.985g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.071g/mol
Monoisotopic Mass:
245.985g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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