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4-chloro-3-methoxy-2-methylpyridin-1-ium-1-olate

4-chloro-3-methoxy-2-methylpyridin-1-ium-1-olate

CAS: 122307-41-9

Formula: C7H8ClNO2

SMILES: COC1=C(Cl)C=C[N+]([O-])=C1C

IUPAC: 4-chloro-3-methoxy-2-methylpyridin-1-ium-1-olate

InChI: InChI=1S/C7H8ClNO2/c1-5-7(11-2)6(8)3-4-9(5)10/h3-4H,1-2H3

Composition: C (48.43%), H (4.65%), Cl (20.42%), N (8.07%), O (18.43%)

Molar Mass: 173.6

Atom Count: 19

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 173.0243562
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey TWXMQDRFBLSXFN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.32
Topological Polar Surface Area 36.17
Polarizability 16.15
Ring Count 1
Rotatable Bond Count 1

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