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24499-76-1 | Butanoic acid, 2,4-dibromo-3-oxo-, ethyl ester
CAS No: 24499-76-1 Catalog No: AG002OBT MDL No:
Product Description
Catalog Number:
AG002OBT
Chemical Name:
Butanoic acid, 2,4-dibromo-3-oxo-, ethyl ester
CAS Number:
24499-76-1
Molecular Formula:
C6H8Br2O3
Molecular Weight:
287.9339
IUPAC Name:
ethyl 2,4-dibromo-3-oxobutanoate
InChI:
InChI=1S/C6H8Br2O3/c1-2-11-6(10)5(8)4(9)3-7/h5H,2-3H2,1H3
InChI Key:
JUVPCHUCQSEYEL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)CBr)Br
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.882g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.935g/mol
Monoisotopic Mass:
285.884g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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