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127590-90-3 | Pyridine, 2-(chloromethyl)-5-(phenylmethoxy)-
CAS No: 127590-90-3 Catalog No: AG000X7S MDL No:
Product Description
Catalog Number:
AG000X7S
Chemical Name:
Pyridine, 2-(chloromethyl)-5-(phenylmethoxy)-
CAS Number:
127590-90-3
Molecular Formula:
C13H12ClNO
Molecular Weight:
233.6935
IUPAC Name:
2-(chloromethyl)-5-phenylmethoxypyridine
InChI:
InChI=1S/C13H12ClNO/c14-8-12-6-7-13(9-15-12)16-10-11-4-2-1-3-5-11/h1-7,9H,8,10H2
InChI Key:
CTWNTPDUEZHHNW-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cn1)OCc1ccccc1
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.695g/mol
Monoisotopic Mass:
233.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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