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175711-73-6 | Benzenebutanoic acid, 2,4-dichloro-α,γ-dioxo-, methyl ester
CAS No: 175711-73-6 Catalog No: AG00214I MDL No:MFCD04967382
Product Description
Catalog Number:
AG00214I
Chemical Name:
Benzenebutanoic acid, 2,4-dichloro-α,γ-dioxo-, methyl ester
CAS Number:
175711-73-6
Molecular Formula:
C11H8Cl2O4
Molecular Weight:
275.0848
MDL Number:
MFCD04967382
IUPAC Name:
methyl 4-(2,4-dichlorophenyl)-2,4-dioxobutanoate
InChI:
InChI=1S/C11H8Cl2O4/c1-17-11(16)10(15)5-9(14)7-3-2-6(12)4-8(7)13/h2-4H,5H2,1H3
InChI Key:
AANFKOMMZYTNJZ-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)CC(=O)c1ccc(cc1Cl)Cl
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.98g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.081g/mol
Monoisotopic Mass:
273.98g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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