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380382-29-6 | Pyridine, 5-bromo-2-(4-methyl-1H-imidazol-1-yl)-
CAS No: 380382-29-6 Catalog No: AG01F9N7 MDL No:
Product Description
Catalog Number:
AG01F9N7
Chemical Name:
Pyridine, 5-bromo-2-(4-methyl-1H-imidazol-1-yl)-
CAS Number:
380382-29-6
Molecular Formula:
C9H8BrN3
Molecular Weight:
238.0839
IUPAC Name:
5-bromo-2-(4-methylimidazol-1-yl)pyridine
InChI:
InChI=1S/C9H8BrN3/c1-7-5-13(6-12-7)9-3-2-8(10)4-11-9/h2-6H,1H3
InChI Key:
ZZJHQPQEIHWUBI-UHFFFAOYSA-N
SMILES:
Brc1ccc(nc1)n1cnc(c1)C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.088g/mol
Monoisotopic Mass:
236.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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