3-bromo-1,10-phenanthroline
Catalog Number
ACM66127013-1
CAS
66127-01-3
IUPAC Name
3-bromo-1,10-phenanthroline
Synonyms
1,10-Phenanthroline,3-bromo-
Molecular Weight
259.1
Molecular Formula
C12H7BrN2
Product Information
Canonical SMILES
C1=CC2=C(C3=NC=C(C=C3C=C2)Br)N=C1
InChI
InChI=1S/C12H7BrN2/c13-10-6-9-4-3-8-2-1-5-14-11(8)12(9)15-7-10/h1-7H
InChI Key
OADZHFGJIVKDJN-UHFFFAOYSA-N
Boiling Point
397.8±22.0 °C
Melting Point
173 °C
Purity
99%+
Density
1.616 g/ml
Appearance
Light yellow to Brown powder to crystal
Complexity
234
Exact Mass
257.97926
Heavy Atom Count
15
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
0
Monoisotopic Mass
257.97926
Precautionary Statements
P296
Reaxys Registry Number
149142
Rotatable Bond Count
0
Topological Polar Surface Area
25.8 Ų
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