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4-chloro-1-(2,4-difluorophenyl)butan-1-one

4-chloro-1-(2,4-difluorophenyl)butan-1-one

CAS: 50528-16-0

Formula: C10H9ClF2O

SMILES: FC1=CC=C(C(=O)CCCCl)C(F)=C1

IUPAC: 4-chloro-1-(2,4-difluorophenyl)butan-1-one

InChI: InChI=1S/C10H9ClF2O/c11-5-1-2-10(14)8-4-3-7(12)6-9(8)13/h3-4,6H,1-2,5H2

Composition: C (54.94%), H (4.15%), Cl (16.21%), F (17.38%), O (7.32%)

Molar Mass: 218.63

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 218.0309989
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey LBXIEKILXABVHC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.1
Topological Polar Surface Area 17.07
Polarizability 19.06
Ring Count 1
Rotatable Bond Count 4

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95% <5 Days 50528-16-0 $50.44-$672.11$50.44$74.40$187.89$672.11
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