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2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride

2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride

CAS: 86604-75-3

Formula: C9H13Cl2NO

SMILES: Cl.COC1=C(C)C(CCl)=NC=C1C

IUPAC: 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride

InChI: InChI=1S/C9H12ClNO.ClH/c1-6-5-11-8(4-10)7(2)9(6)12-3;/h5H,4H2,1-3H3;1H

Composition: C (48.67%), H (5.90%), Cl (31.92%), N (6.31%), O (7.20%)

Molar Mass: 222.11

Atom Count: 26

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 221.0374194
Formal Charge 0
FSP3 0.44
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey LCJDHJOUOJSJGS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.79
Topological Polar Surface Area 22.12
Polarizability 19.14
Ring Count 1
Rotatable Bond Count 2

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