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2-(2-chloro-6-fluorophenyl)acetonitrile

2-(2-chloro-6-fluorophenyl)acetonitrile

CAS: 75279-55-9

Formula: C8H5ClFN

SMILES: FC1=C(CC#N)C(Cl)=CC=C1

IUPAC: 2-(2-chloro-6-fluorophenyl)acetonitrile

InChI: InChI=1S/C8H5ClFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2

Composition: C (56.66%), H (2.97%), Cl (20.90%), F (11.20%), N (8.26%)

Molar Mass: 169.58

Atom Count: 16

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 169.009455
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey ZGSAFMIRVLOISC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.37
Topological Polar Surface Area 23.79
Polarizability 15.45
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 75279-55-9 $13.80-$36.80$13.80$16.10$36.80
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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 75279-55-9 $5.18-$166.64$5.18$13.46$22.77$45.54$166.64
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98% <5 Days 75279-55-9 $15.13-$46.66$15.13$46.66
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