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82176-32-7 | Butanal, 2,2-dibromo-3-oxo-
CAS No: 82176-32-7 Catalog No: AG004W43 MDL No:
Product Description
Catalog Number:
AG004W43
Chemical Name:
Butanal, 2,2-dibromo-3-oxo-
CAS Number:
82176-32-7
Molecular Formula:
C4H4Br2O2
Molecular Weight:
243.8814
IUPAC Name:
2,2-dibromo-3-oxobutanal
InChI:
InChI=1S/C4H4Br2O2/c1-3(8)4(5,6)2-7/h2H,1H3
InChI Key:
YZXOOHZAQKSRDI-UHFFFAOYSA-N
SMILES:
O=CC(C(=O)C)(Br)Br
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.856g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.882g/mol
Monoisotopic Mass:
241.858g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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