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113563-34-1 | 1,1,2,2-Ethanetetracarboxylic acid, 1-bromo-2-ethoxy-, tetraethyl ester (9CI)
CAS No: 113563-34-1 Catalog No: AG00090U MDL No:
Product Description
Catalog Number:
AG00090U
Chemical Name:
1,1,2,2-Ethanetetracarboxylic acid, 1-bromo-2-ethoxy-, tetraethyl ester (9CI)
CAS Number:
113563-34-1
Molecular Formula:
C16H25BrO9
Molecular Weight:
441.2683
IUPAC Name:
tetraethyl 1-bromo-2-ethoxyethane-1,1,2,2-tetracarboxylate
InChI:
InChI=1S/C16H25BrO9/c1-6-22-11(18)15(17,12(19)23-7-2)16(26-10-5,13(20)24-8-3)14(21)25-9-4/h6-10H2,1-5H3
InChI Key:
JJGPDDBCXYCGIE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(C(=O)OCC)(C(=O)OCC)Br)(C(=O)OCC)OCC
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.068g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
441.271g/mol
Monoisotopic Mass:
440.068g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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