Home Halogens 1,3-dibromo-3-methylbutan-2-one

1,3-dibromo-3-methylbutan-2-one

CAS No.:
1518-06-5
Catalog Number:
AG019TB5
Molecular Formula:
C5H8Br2O
Molecular Weight:
243.9244
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Product Description
Catalog Number:
AG019TB5
Chemical Name:
1,3-dibromo-3-methylbutan-2-one
CAS Number:
1518-06-5
Molecular Formula:
C5H8Br2O
Molecular Weight:
243.9244
MDL Number:
MFCD21602529
IUPAC Name:
1,3-dibromo-3-methylbutan-2-one
InChI:
InChI=1S/C5H8Br2O/c1-5(2,7)4(8)3-6/h3H2,1-2H3
InChI Key:
MWDMECGUJZUHCF-UHFFFAOYSA-N
SMILES:
BrCC(=O)C(Br)(C)C
Properties
Complexity:
98.6  
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:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties