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139266-55-0 | 2-Furanacetic acid, α,2,4-trichloro-5-(4-chlorophenyl)-2,3-dihydro-3-oxo-, methyl ester (9CI)
CAS No: 139266-55-0 Catalog No: AG001AM1 MDL No:
Product Description
Catalog Number:
AG001AM1
Chemical Name:
2-Furanacetic acid, α,2,4-trichloro-5-(4-chlorophenyl)-2,3-dihydro-3-oxo-, methyl ester (9CI)
CAS Number:
139266-55-0
Molecular Formula:
C13H8Cl4O4
Molecular Weight:
370.0122
IUPAC Name:
methyl 2-chloro-2-[2,4-dichloro-5-(4-chlorophenyl)-3-oxofuran-2-yl]acetate
InChI:
InChI=1S/C13H8Cl4O4/c1-20-12(19)10(16)13(17)11(18)8(15)9(21-13)6-2-4-7(14)5-3-6/h2-5,10H,1H3
InChI Key:
XGHQYXJQUSVSAK-UHFFFAOYSA-N
SMILES:
COC(=O)C(C1(Cl)OC(=C(C1=O)Cl)c1ccc(cc1)Cl)Cl
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.915g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.003g/mol
Monoisotopic Mass:
367.918g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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