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2050-55-7 | Butanedioic acid, 2,3-dibromo-, 1,4-dibutyl ester
CAS No: 2050-55-7 Catalog No: AG0029SY MDL No:
Product Description
Catalog Number:
AG0029SY
Chemical Name:
Butanedioic acid, 2,3-dibromo-, 1,4-dibutyl ester
CAS Number:
2050-55-7
Molecular Formula:
C12H20Br2O4
Molecular Weight:
388.0928
IUPAC Name:
dibutyl 2,3-dibromobutanedioate
InChI:
InChI=1S/C12H20Br2O4/c1-3-5-7-17-11(15)9(13)10(14)12(16)18-8-6-4-2/h9-10H,3-8H2,1-2H3
InChI Key:
WOHNIDNINFYOAI-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C(C(C(=O)OCCCC)Br)Br
NSC Number:
55604
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.971g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.096g/mol
Monoisotopic Mass:
385.973g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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