methyl 2-chloro-6-methylpyrimidine-4-carboxylate

methyl 2-chloro-6-methylpyrimidine-4-carboxylate

CAS: 89793-11-3

Formula: C7H7ClN2O2

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

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

InChI: InChI=1S/C7H7ClN2O2/c1-4-3-5(6(11)12-2)10-7(8)9-4/h3H,1-2H3

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	ZNPORLVPCMFKOR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.47
Topological Polar Surface Area	52.08
Polarizability	16.85
Ring Count	1
Rotatable Bond Count	2

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