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ethyl 2-(3-chloropyrazin-2-yl)-2-cyanoacetate

ethyl 2-(3-chloropyrazin-2-yl)-2-cyanoacetate

CAS: 99446-80-7

Formula: C9H8ClN3O2

SMILES: CCOC(=O)C(C#N)C1=NC=CN=C1Cl

IUPAC: ethyl 2-(3-chloropyrazin-2-yl)-2-cyanoacetate

InChI: InChI=1/C9H8ClN3O2/c1-2-15-9(14)6(5-11)7-8(10)13-4-3-12-7/h3-4,6H,2H2,1H3

Composition: C (47.91%), H (3.57%), Cl (15.71%), N (18.62%), O (14.18%)

Molar Mass: 225.63

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 225.0305042
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey OAFKXQPCHFJKPC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.33
Topological Polar Surface Area 75.87
Polarizability 20.44
Ring Count 1
Rotatable Bond Count 4

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