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1268101-10-5 | 3',5'-Dichlorobutyrophenone
CAS No: 1268101-10-5 Catalog No: AG01FFDP MDL No:
Product Description
Catalog Number:
AG01FFDP
Chemical Name:
3',5'-Dichlorobutyrophenone
CAS Number:
1268101-10-5
Molecular Formula:
C10H10Cl2O
Molecular Weight:
217.0918
IUPAC Name:
1-(3,5-dichlorophenyl)butan-1-one
InChI:
InChI=1S/C10H10Cl2O/c1-2-3-10(13)7-4-8(11)6-9(12)5-7/h4-6H,2-3H2,1H3
InChI Key:
VLAKFBVRSDGJQZ-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1cc(Cl)cc(c1)Cl
Properties
Complexity:
172
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:
3.7
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