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2-{[(2,4-dichlorophenyl)methyl]amino}pyrimidine-5-carbonitrile

2-{[(2,4-dichlorophenyl)methyl]amino}pyrimidine-5-carbonitrile

CAS: 400084-62-0

Formula: C12H8Cl2N4

SMILES: ClC1=CC(Cl)=C(CNC2=NC=C(C=N2)C#N)C=C1

IUPAC: 2-{[(2,4-dichlorophenyl)methyl]amino}pyrimidine-5-carbonitrile

InChI: InChI=1S/C12H8Cl2N4/c13-10-2-1-9(11(14)3-10)7-18-12-16-5-8(4-15)6-17-12/h1-3,5-6H,7H2,(H,16,17,18)

Composition: C (51.64%), H (2.89%), Cl (25.40%), N (20.07%)

Molar Mass: 279.12

Atom Count: 26

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 278.0126017
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey FLSDNCCZQMDZDB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.81
Topological Polar Surface Area 61.6
Polarizability 26.74
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 400084-62-0 $51.35-$86.31$51.35$63.37$86.31
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