Home Halogens 2-Pentanone, 5-chloro-3-methyl-

2-Pentanone, 5-chloro-3-methyl-

CAS No.:
1187-81-1
Catalog Number:
AG007PQU
Molecular Formula:
C6H11ClO
Molecular Weight:
134.6039
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Product Description
Catalog Number:
AG007PQU
Chemical Name:
2-Pentanone, 5-chloro-3-methyl-
CAS Number:
1187-81-1
Molecular Formula:
C6H11ClO
Molecular Weight:
134.6039
MDL Number:
MFCD19232094
IUPAC Name:
5-chloro-3-methylpentan-2-one
InChI:
InChI=1S/C6H11ClO/c1-5(3-4-7)6(2)8/h5H,3-4H2,1-2H3
InChI Key:
XKEZKJHAYZEVNQ-UHFFFAOYSA-N
SMILES:
CC(C(=O)C)CCCl
EC Number:
601-565-1
Properties
Complexity:
80.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.05g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.603g/mol
Monoisotopic Mass:
134.05g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties