Home Halogens 1,3-Butanedione, 1-(3-chlorophenyl)-

1,3-Butanedione, 1-(3-chlorophenyl)-

CAS No.:
128486-09-9
Catalog Number:
AG000Y4R
Molecular Formula:
C10H9ClO2
Molecular Weight:
196.6303
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG000Y4R
Chemical Name:
1,3-Butanedione, 1-(3-chlorophenyl)-
CAS Number:
128486-09-9
Molecular Formula:
C10H9ClO2
Molecular Weight:
196.6303
MDL Number:
MFCD07772929
IUPAC Name:
1-(3-chlorophenyl)butane-1,3-dione
InChI:
InChI=1S/C10H9ClO2/c1-7(12)5-10(13)8-3-2-4-9(11)6-8/h2-4,6H,5H2,1H3
InChI Key:
NAVKHJDRCGTULV-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)c1cccc(c1)Cl
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.029g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.63g/mol
Monoisotopic Mass:
196.029g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties