Synonyms
1,10-Phenanthroline, 5-bromo-
IUPAC Name
5-bromo-1,10-phenanthroline
Molecular Weight
259.10
Molecular Formula
C12H7BrN2
Canonical SMILES
C1=CC2=CC(=C3C=CC=NC3=C2N=C1)Br
InChI
GWKGPQCKIBRXGW-UHFFFAOYSA-N
InChI Key
InChI=1S/C12H7BrN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H
Boiling Point
417.6±25.0 °C(Predicted)
Melting Point
119 °C-lit.
Purity
97%
Complexity
234
Covalently-Bonded Unit Count
1
EC Number
254-742-7
Exact Mass
257.97926
H-Bond Acceptor
2
Heavy Atom Count
15
Monoisotopic Mass
257.97926
Rotatable Bond Count
0
Topological Polar Surface Area
25.8 Ų
