2,4-dichloropyrimidin-5-yl acetate

2,4-dichloropyrimidin-5-yl acetate

CAS: 3177-20-6

Formula: C6H4Cl2N2O2

SMILES: CC(=O)OC1=C(Cl)N=C(Cl)N=C1

IUPAC: 2,4-dichloropyrimidin-5-yl acetate

InChI: InChI=1S/C6H4Cl2N2O2/c1-3(11)12-4-2-9-6(8)10-5(4)7/h2H,1H3

Composition: C (34.81%), H (1.95%), Cl (34.25%), N (13.53%), O (15.46%)

Molar Mass: 207.01

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	205.9649828
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YSKYBMWXZDYHSK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.22
Topological Polar Surface Area	52.08
Polarizability	17.16
Ring Count	1
Rotatable Bond Count	2

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