Home Halogens 1-(2,4-dichlorophenyl)butan-2-one

1-(2,4-dichlorophenyl)butan-2-one

CAS No.:
94147-69-0
Catalog Number:
AG01AGNV
Molecular Formula:
C10H10Cl2O
Molecular Weight:
217.0918
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Product Description
Catalog Number:
AG01AGNV
Chemical Name:
1-(2,4-dichlorophenyl)butan-2-one
CAS Number:
94147-69-0
Molecular Formula:
C10H10Cl2O
Molecular Weight:
217.0918
MDL Number:
MFCD11937015
IUPAC Name:
1-(2,4-dichlorophenyl)butan-2-one
InChI:
InChI=1S/C10H10Cl2O/c1-2-9(13)5-7-3-4-8(11)6-10(7)12/h3-4,6H,2,5H2,1H3
InChI Key:
IBGYWGXHSLPYAS-UHFFFAOYSA-N
SMILES:
CCC(=O)Cc1ccc(cc1Cl)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:
3.5  
Properties