methyl 2,5,6-trichloropyrimidine-4-carboxylate

methyl 2,5,6-trichloropyrimidine-4-carboxylate

CAS: 89284-85-5

Formula: C6H3Cl3N2O2

SMILES: COC(=O)C1=NC(Cl)=NC(Cl)=C1Cl

IUPAC: methyl 2,5,6-trichloropyrimidine-4-carboxylate

InChI: InChI=1S/C6H3Cl3N2O2/c1-13-5(12)3-2(7)4(8)11-6(9)10-3/h1H3

Composition: C (29.85%), H (1.25%), Cl (44.05%), N (11.60%), O (13.25%)

Molar Mass: 241.45

Atom Count: 16

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	239.9260104
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	TVFOOGACHSHHSX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.55
Topological Polar Surface Area	52.08
Polarizability	19.2
Ring Count	1
Rotatable Bond Count	2

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