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102625-85-4 | Pyridine, 2-(chloromethyl)-4,5-dimethoxy-3-methyl-, hydrochloride (1:1)
CAS No: 102625-85-4 Catalog No: AG0007YL MDL No:
Product Description
Catalog Number:
AG0007YL
Chemical Name:
Pyridine, 2-(chloromethyl)-4,5-dimethoxy-3-methyl-, hydrochloride (1:1)
CAS Number:
102625-85-4
Molecular Formula:
C9H13Cl2NO2
Molecular Weight:
238.1110
IUPAC Name:
2-(chloromethyl)-4,5-dimethoxy-3-methylpyridine;hydrochloride
InChI:
InChI=1S/C9H12ClNO2.ClH/c1-6-7(4-10)11-5-8(12-2)9(6)13-3;/h5H,4H2,1-3H3;1H
InChI Key:
AMHBOGMTNCYBBP-UHFFFAOYSA-N
SMILES:
COc1c(OC)cnc(c1C)CCl.Cl
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.108g/mol
Monoisotopic Mass:
237.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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