methyl 2-(6-chloropyridin-2-yl)acetate

methyl 2-(6-chloropyridin-2-yl)acetate

CAS: 161807-18-7

Formula: C8H8ClNO2

SMILES: COC(=O)CC1=CC=CC(Cl)=N1

IUPAC: methyl 2-(6-chloropyridin-2-yl)acetate

InChI: InChI=1S/C8H8ClNO2/c1-12-8(11)5-6-3-2-4-7(9)10-6/h2-4H,5H2,1H3

Composition: C (51.77%), H (4.34%), Cl (19.10%), N (7.55%), O (17.24%)

Molar Mass: 185.61

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	185.0243562
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KQZPAXQFNLEKLS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.47
Topological Polar Surface Area	39.19
Polarizability	17.7
Ring Count	1
Rotatable Bond Count	3

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