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127590-89-0 | Pyridine, 2-(chloromethyl)-5-propoxy-
CAS No: 127590-89-0 Catalog No: AG000X7T MDL No:
Product Description
Catalog Number:
AG000X7T
Chemical Name:
Pyridine, 2-(chloromethyl)-5-propoxy-
CAS Number:
127590-89-0
Molecular Formula:
C9H12ClNO
Molecular Weight:
185.6507
IUPAC Name:
2-(chloromethyl)-5-propoxypyridine
InChI:
InChI=1S/C9H12ClNO/c1-2-5-12-9-4-3-8(6-10)11-7-9/h3-4,7H,2,5-6H2,1H3
InChI Key:
WCVQBWRMLQWOPS-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(nc1)CCl
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.651g/mol
Monoisotopic Mass:
185.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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