ethyl 2-chloro-6-methylpyrimidine-4-carboxylate

ethyl 2-chloro-6-methylpyrimidine-4-carboxylate

CAS: 265328-14-1

Formula: C8H9ClN2O2

SMILES: CCOC(=O)C1=CC(C)=NC(Cl)=N1

IUPAC: ethyl 2-chloro-6-methylpyrimidine-4-carboxylate

InChI: InChI=1S/C8H9ClN2O2/c1-3-13-7(12)6-4-5(2)10-8(9)11-6/h4H,3H2,1-2H3

Composition: C (47.90%), H (4.52%), Cl (17.67%), N (13.96%), O (15.95%)

Molar Mass: 200.62

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	200.0352552
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	KXYPJIQULMYRSV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.21
Topological Polar Surface Area	52.08
Polarizability	18.67
Ring Count	1
Rotatable Bond Count	3

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