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296796-44-6 | Pyridine, 5-bromo-2-(1H-tetrazol-1-yl)-
CAS No: 296796-44-6 Catalog No: AG002Z2G MDL No:
Product Description
Catalog Number:
AG002Z2G
Chemical Name:
Pyridine, 5-bromo-2-(1H-tetrazol-1-yl)-
CAS Number:
296796-44-6
Molecular Formula:
C6H4BrN5
Molecular Weight:
226.0335
IUPAC Name:
5-bromo-2-(tetrazol-1-yl)pyridine
InChI:
InChI=1S/C6H4BrN5/c7-5-1-2-6(8-3-5)12-4-9-10-11-12/h1-4H
InChI Key:
YBMHJWFLYFYWBM-UHFFFAOYSA-N
SMILES:
Brc1ccc(nc1)n1cnnn1
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.037g/mol
Monoisotopic Mass:
224.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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