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methyl 2-(5-chloropyridin-2-yl)acetate

methyl 2-(5-chloropyridin-2-yl)acetate

CAS: 1181210-76-3

Formula: C8H8ClNO2

SMILES: COC(=O)CC1=NC=C(Cl)C=C1

IUPAC: methyl 2-(5-chloropyridin-2-yl)acetate

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

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 FNPKADVOKNOAOU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.41
Topological Polar Surface Area 39.19
Polarizability 17.66
Ring Count 1
Rotatable Bond Count 3

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