ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate

ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate

CAS: 14273-76-8

Formula: C9H11ClN2O2

SMILES: CCOC(=O)CC1=CN=C(C)N=C1Cl

IUPAC: ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate

InChI: InChI=1S/C9H11ClN2O2/c1-3-14-8(13)4-7-5-11-6(2)12-9(7)10/h5H,3-4H2,1-2H3

Composition: C (50.36%), H (5.17%), Cl (16.52%), N (13.05%), O (14.91%)

Molar Mass: 214.65

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	214.0509053
Formal Charge	0
FSP3	0.44
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	UXHQKBUDSNPVJV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.04
Topological Polar Surface Area	52.08
Polarizability	20.45
Ring Count	1
Rotatable Bond Count	4

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