Home Halogens 1,5-dibromopentan-2-one

1,5-dibromopentan-2-one

CAS No.:
138139-54-5
Catalog Number:
AG01C3K1
Molecular Formula:
C5H8Br2O
Molecular Weight:
243.9244
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Product Description
Catalog Number:
AG01C3K1
Chemical Name:
1,5-dibromopentan-2-one
CAS Number:
138139-54-5
Molecular Formula:
C5H8Br2O
Molecular Weight:
243.9244
IUPAC Name:
1,5-dibromopentan-2-one
InChI:
InChI=1S/C5H8Br2O/c6-3-1-2-5(8)4-7/h1-4H2
InChI Key:
XNNMOQKUPLXENA-UHFFFAOYSA-N
SMILES:
BrCCCC(=O)CBr
Properties
Complexity:
72.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.892g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.926g/mol
Monoisotopic Mass:
241.894g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties