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380382-24-1 | Pyridine, 5-bromo-2-(1H-1,2,4-triazol-1-yl)-
CAS No: 380382-24-1 Catalog No: AG01FARV MDL No:
Product Description
Catalog Number:
AG01FARV
Chemical Name:
Pyridine, 5-bromo-2-(1H-1,2,4-triazol-1-yl)-
CAS Number:
380382-24-1
Molecular Formula:
C7H5BrN4
Molecular Weight:
225.0454
IUPAC Name:
5-bromo-2-(1,2,4-triazol-1-yl)pyridine
InChI:
InChI=1S/C7H5BrN4/c8-6-1-2-7(10-3-6)12-5-9-4-11-12/h1-5H
InChI Key:
JFBXMUZERCLCOR-UHFFFAOYSA-N
SMILES:
Brc1ccc(nc1)n1cncn1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.97g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.049g/mol
Monoisotopic Mass:
223.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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