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117977-20-5 | Pyridine, 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methyl-
CAS No: 117977-20-5 Catalog No: AG000I91 MDL No:MFCD08272131
Product Description
Catalog Number:
AG000I91
Chemical Name:
Pyridine, 2-(chloromethyl)-4-(3-methoxypropoxy)-3-methyl-
CAS Number:
117977-20-5
Molecular Formula:
C11H16ClNO2
Molecular Weight:
229.7032
MDL Number:
MFCD08272131
IUPAC Name:
2-(chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine
InChI:
InChI=1S/C11H16ClNO2/c1-9-10(8-12)13-5-4-11(9)15-7-3-6-14-2/h4-5H,3,6-8H2,1-2H3
InChI Key:
XPYNCLYLFSMFQE-UHFFFAOYSA-N
SMILES:
Cc1c(OCCCOC)ccnc1CCl
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.704g/mol
Monoisotopic Mass:
229.087g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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