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631-22-1 | Diethyl 2,2-dibromomalonate
CAS No: 631-22-1 Catalog No: AG003PGG MDL No:MFCD00015154
Product Description
Catalog Number:
AG003PGG
Chemical Name:
Diethyl 2,2-dibromomalonate
CAS Number:
631-22-1
Molecular Formula:
C7H10Br2O4
Molecular Weight:
317.9599
MDL Number:
MFCD00015154
IUPAC Name:
diethyl 2,2-dibromopropanedioate
InChI:
InChI=1S/C7H10Br2O4/c1-3-12-5(10)7(8,9)6(11)13-4-2/h3-4H2,1-2H3
InChI Key:
PFZYFZRUPFUEOB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)(Br)Br
EC Number:
211-151-9
NSC Number:
6759
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.893g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.961g/mol
Monoisotopic Mass:
315.895g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Reductive and brominative termination of alkenol cyclization in aerobic cobalt-catalyzed reactions. | Journal of the American Chemical Society 20090916 |
| Lower-rim substituted calixarenes and their applications. | Bioinorganic chemistry and applications 20070101 |
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