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114527-26-3 | 2,2'-Bipyridine, 4-(3-chloropropyl)-4'-methyl-
CAS No: 114527-26-3 Catalog No: AG000EMS MDL No:
Product Description
Catalog Number:
AG000EMS
Chemical Name:
2,2'-Bipyridine, 4-(3-chloropropyl)-4'-methyl-
CAS Number:
114527-26-3
Molecular Formula:
C14H15ClN2
Molecular Weight:
246.7353
IUPAC Name:
2-[4-(3-chloropropyl)pyridin-2-yl]-4-methylpyridine
InChI:
InChI=1S/C14H15ClN2/c1-11-4-7-16-13(9-11)14-10-12(3-2-6-15)5-8-17-14/h4-5,7-10H,2-3,6H2,1H3
InChI Key:
VUQSMMWDVDASOO-UHFFFAOYSA-N
SMILES:
ClCCCc1ccnc(c1)c1nccc(c1)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.092g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.738g/mol
Monoisotopic Mass:
246.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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