Home Halogens 2-Pentanone, 1-bromo-

2-Pentanone, 1-bromo-

CAS No.:
817-71-0
Catalog Number:
AG0050R9
Molecular Formula:
C5H9BrO
Molecular Weight:
165.0284
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Product Description
Catalog Number:
AG0050R9
Chemical Name:
2-Pentanone, 1-bromo-
CAS Number:
817-71-0
Molecular Formula:
C5H9BrO
Molecular Weight:
165.0284
MDL Number:
MFCD18815510
IUPAC Name:
1-bromopentan-2-one
InChI:
InChI=1S/C5H9BrO/c1-2-3-5(7)4-6/h2-4H2,1H3
InChI Key:
XNHTZBFSFZSWOO-UHFFFAOYSA-N
SMILES:
CCCC(=O)CBr
Properties
Complexity:
61.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.984g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.03g/mol
Monoisotopic Mass:
163.984g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties