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115008-03-2 | 2,2'-Bipyridine, 4-(4-bromobutyl)-4'-methyl-
CAS No: 115008-03-2 Catalog No: AG000FL1 MDL No:
Product Description
Catalog Number:
AG000FL1
Chemical Name:
2,2'-Bipyridine, 4-(4-bromobutyl)-4'-methyl-
CAS Number:
115008-03-2
Molecular Formula:
C15H17BrN2
Molecular Weight:
305.2129
IUPAC Name:
2-[4-(4-bromobutyl)pyridin-2-yl]-4-methylpyridine
InChI:
InChI=1S/C15H17BrN2/c1-12-5-8-17-14(10-12)15-11-13(6-9-18-15)4-2-3-7-16/h5-6,8-11H,2-4,7H2,1H3
InChI Key:
QBWVHZUSTRNLHR-UHFFFAOYSA-N
SMILES:
BrCCCCc1ccnc(c1)c1nccc(c1)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.219g/mol
Monoisotopic Mass:
304.058g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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