ethyl 4-chloro-6-methylpyrimidine-5-carboxylate

ethyl 4-chloro-6-methylpyrimidine-5-carboxylate

CAS: 157981-60-7

Formula: C8H9ClN2O2

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

IUPAC: ethyl 4-chloro-6-methylpyrimidine-5-carboxylate

InChI: InChI=1S/C8H9ClN2O2/c1-3-13-8(12)6-5(2)10-4-11-7(6)9/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	QRMLCDFPZGCELR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.95
Topological Polar Surface Area	52.08
Polarizability	18.62
Ring Count	1
Rotatable Bond Count	3

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