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2-(2-chloro-5-methyl-4-nitrophenyl)-2-(4-chlorophenyl)acetonitrile

2-(2-chloro-5-methyl-4-nitrophenyl)-2-(4-chlorophenyl)acetonitrile

CAS: 866042-32-2

Formula: C15H10Cl2N2O2

SMILES: CC1=CC(C(C#N)C2=CC=C(Cl)C=C2)=C(Cl)C=C1[N+]([O-])=O

IUPAC: 2-(2-chloro-5-methyl-4-nitrophenyl)-2-(4-chlorophenyl)acetonitrile

InChI: InChI=1/C15H10Cl2N2O2/c1-9-6-12(14(17)7-15(9)19(20)21)13(8-18)10-2-4-11(16)5-3-10/h2-7,13H,1H3

Composition: C (56.10%), H (3.14%), Cl (22.08%), N (8.72%), O (9.96%)

Molar Mass: 321.16

Atom Count: 31

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 320.011933
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ZZZRTFVXVVEQGQ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 81.99
Topological Polar Surface Area 66.93
Polarizability 30.86
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 866042-32-2 $51.35-$524.40$51.35$63.37$86.31$524.40
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