Home Halogens 1-Butanone, 1-(3,4-dichlorophenyl)-

1-Butanone, 1-(3,4-dichlorophenyl)-

CAS No.:
6582-45-2
Catalog Number:
AG00FLUE
Molecular Formula:
C10H10Cl2O
Molecular Weight:
217.0918
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Product Description
Catalog Number:
AG00FLUE
Chemical Name:
1-Butanone, 1-(3,4-dichlorophenyl)-
CAS Number:
6582-45-2
Molecular Formula:
C10H10Cl2O
Molecular Weight:
217.0918
MDL Number:
MFCD09264305
IUPAC Name:
1-(3,4-dichlorophenyl)butan-1-one
InChI:
InChI=1S/C10H10Cl2O/c1-2-3-10(13)7-4-5-8(11)9(12)6-7/h4-6H,2-3H2,1H3
InChI Key:
GLWFMNWVTNHDEO-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.011g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.089g/mol
Monoisotopic Mass:
216.011g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties