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189805-28-5 | Pyridine, 2,2'-(4-bromo-1H-pyrazole-1,3-diyl)bis- (9CI)
CAS No: 189805-28-5 Catalog No: AG002DYR MDL No:
Product Description
Catalog Number:
AG002DYR
Chemical Name:
Pyridine, 2,2'-(4-bromo-1H-pyrazole-1,3-diyl)bis- (9CI)
CAS Number:
189805-28-5
Molecular Formula:
C13H9BrN4
Molecular Weight:
301.1414
IUPAC Name:
2-(4-bromo-1-pyridin-2-ylpyrazol-3-yl)pyridine
InChI:
InChI=1S/C13H9BrN4/c14-10-9-18(12-6-2-4-8-16-12)17-13(10)11-5-1-3-7-15-11/h1-9H
InChI Key:
IEZUJFULEIATCO-UHFFFAOYSA-N
SMILES:
Brc1cn(nc1c1ccccn1)c1ccccn1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.001g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.147g/mol
Monoisotopic Mass:
300.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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