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18903-16-7 | Butanedioic acid, 2-bromo-3-oxo-, 1,4-diethyl ester
CAS No: 18903-16-7 Catalog No: AG002HQQ MDL No:
Product Description
Catalog Number:
AG002HQQ
Chemical Name:
Butanedioic acid, 2-bromo-3-oxo-, 1,4-diethyl ester
CAS Number:
18903-16-7
Molecular Formula:
C8H11BrO5
Molecular Weight:
267.0739
IUPAC Name:
diethyl 2-bromo-3-oxobutanedioate
InChI:
InChI=1S/C8H11BrO5/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5H,3-4H2,1-2H3
InChI Key:
JCTDVOWBAHLRLG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)C(C(=O)OCC)Br
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.979g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.075g/mol
Monoisotopic Mass:
265.979g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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