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4-[2-(2-chloro-6-fluorophenyl)ethenyl]pyrimidin-2-amine

4-[2-(2-chloro-6-fluorophenyl)ethenyl]pyrimidin-2-amine

CAS: 667400-59-1

Formula: C12H9ClFN3

SMILES: NC1=NC=CC(C=CC2=C(Cl)C=CC=C2F)=N1

IUPAC: 4-[2-(2-chloro-6-fluorophenyl)ethenyl]pyrimidin-2-amine

InChI: InChI=1S/C12H9ClFN3/c13-10-2-1-3-11(14)9(10)5-4-8-6-7-16-12(15)17-8/h1-7H,(H2,15,16,17)

Composition: C (57.73%), H (3.63%), Cl (14.20%), F (7.61%), N (16.83%)

Molar Mass: 249.67

Atom Count: 26

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 249.0469032
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey SWKHKEBWLGTDBU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.4
Topological Polar Surface Area 51.8
Polarizability 24.28
Ring Count 2
Rotatable Bond Count 2

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