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1,2,3-trichloro-4-(1,1-difluoroethyl)benzene

1,2,3-trichloro-4-(1,1-difluoroethyl)benzene

Formula: C8H5Cl3F2

SMILES: CC(F)(F)C1=C(Cl)C(Cl)=C(Cl)C=C1

IUPAC: 1,2,3-trichloro-4-(1,1-difluoroethyl)benzene

InChI: InChI=1S/C8H5Cl3F2/c1-8(12,13)4-2-3-5(9)7(11)6(4)10/h2-3H,1H3

Composition: C (39.14%), H (2.05%), Cl (43.32%), F (15.48%)

Molar Mass: 245.47

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 243.9424896
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey PPSKPPQEBYJQNW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.58
Topological Polar Surface Area 0
Polarizability 19.41
Ring Count 1
Rotatable Bond Count 1

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Kinentia Biosciences LLC
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Purity LeadTime Formula PacketSize UnitPrice
97% <14 Days C8H5Cl3F2 $334.53-$501.80$334.53$501.80
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