ethyl 3-chloropyrazine-2-carboxylate

ethyl 3-chloropyrazine-2-carboxylate

CAS: 655247-45-3

Formula: C7H7ClN2O2

SMILES: CCOC(=O)C1=NC=CN=C1Cl

IUPAC: ethyl 3-chloropyrazine-2-carboxylate

InChI: InChI=1S/C7H7ClN2O2/c1-2-12-7(11)5-6(8)10-4-3-9-5/h3-4H,2H2,1H3

Composition: C (45.06%), H (3.78%), Cl (19.00%), N (15.01%), O (17.15%)

Molar Mass: 186.6

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	186.0196052
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	AZNJBCHPEMMGOL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.01
Topological Polar Surface Area	52.08
Polarizability	16.89
Ring Count	1
Rotatable Bond Count	3

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