Home Halogens Butanal, 2-bromo-3-oxo-

Butanal, 2-bromo-3-oxo-

CAS No.:
87005-15-0
Catalog Number:
AG008DXT
Molecular Formula:
C4H5BrO2
Molecular Weight:
164.9853
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Product Description
Catalog Number:
AG008DXT
Chemical Name:
Butanal, 2-bromo-3-oxo-
CAS Number:
87005-15-0
Molecular Formula:
C4H5BrO2
Molecular Weight:
164.9853
IUPAC Name:
2-bromo-3-oxobutanal
InChI:
InChI=1S/C4H5BrO2/c1-3(7)4(5)2-6/h2,4H,1H3
InChI Key:
LOGAXLAFZKOKQR-UHFFFAOYSA-N
SMILES:
O=CC(C(=O)C)Br
Properties
Complexity:
89.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.947g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.986g/mol
Monoisotopic Mass:
163.947g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties