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843-08-3 | 4H-Pyran-2,6-dicarboxylic acid, 3,5-dibromo-4-oxo-, diethyl ester
CAS No: 843-08-3 Catalog No: AG0056NR MDL No:
Product Description
Catalog Number:
AG0056NR
Chemical Name:
4H-Pyran-2,6-dicarboxylic acid, 3,5-dibromo-4-oxo-, diethyl ester
CAS Number:
843-08-3
Molecular Formula:
C11H10Br2O6
Molecular Weight:
398.0015
IUPAC Name:
diethyl 3,5-dibromo-4-oxopyran-2,6-dicarboxylate
InChI:
InChI=1S/C11H10Br2O6/c1-3-17-10(15)8-5(12)7(14)6(13)9(19-8)11(16)18-4-2/h3-4H2,1-2H3
InChI Key:
WAPREULXOBKLOM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1oc(C(=O)OCC)c(c(=O)c1Br)Br
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.882g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.003g/mol
Monoisotopic Mass:
395.884g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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