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179998-83-5 | Pyridine, 5-bromo-2-(4-octylphenyl)-
CAS No: 179998-83-5 Catalog No: AG0021K4 MDL No:
Product Description
Catalog Number:
AG0021K4
Chemical Name:
Pyridine, 5-bromo-2-(4-octylphenyl)-
CAS Number:
179998-83-5
Molecular Formula:
C19H24BrN
Molecular Weight:
346.3046
IUPAC Name:
5-bromo-2-(4-octylphenyl)pyridine
InChI:
InChI=1S/C19H24BrN/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)19-14-13-18(20)15-21-19/h9-15H,2-8H2,1H3
InChI Key:
JNTAHDPMZPJFNQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(cc1)c1ccc(cn1)Br
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.109g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.312g/mol
Monoisotopic Mass:
345.109g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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