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145218-25-3

145218-25-3 | Pyridine, 2-bromo-5-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl]-

CAS No: 145218-25-3 Catalog No: AG001KO0 MDL No:

Product Description

Catalog Number:
AG001KO0
Chemical Name:
Pyridine, 2-bromo-5-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl]-
CAS Number:
145218-25-3
Molecular Formula:
C16H23BrN4
Molecular Weight:
351.2846
IUPAC Name:
2-bromo-5-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]pyridine
InChI:
InChI=1S/C16H23BrN4/c1-3-5-7-15-19-16(8-6-4-2)21(20-15)12-13-9-10-14(17)18-11-13/h9-11H,3-8,12H2,1-2H3
InChI Key:
HLRDZFLDHICEEB-UHFFFAOYSA-N
SMILES:
CCCCc1nc(nn1Cc1ccc(nc1)Br)CCCC

Properties

Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.111g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.292g/mol
Monoisotopic Mass:
350.111g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  

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