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86604-75-3 | 2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride
CAS No: 86604-75-3 Catalog No: AG00339E MDL No:MFCD00277472
Product Description
Catalog Number:
AG00339E
Chemical Name:
2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride
CAS Number:
86604-75-3
Molecular Formula:
C9H13Cl2NO
Molecular Weight:
222.1116
MDL Number:
MFCD00277472
IUPAC Name:
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
InChI Key:
LCJDHJOUOJSJGS-UHFFFAOYSA-N
SMILES:
COc1c(C)cnc(c1C)CCl.Cl
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.037g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.109g/mol
Monoisotopic Mass:
221.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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