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3-Bromo-9,10-phenanthrenedione

Catalog Number
ACM13292052-1
CAS Number
13292-05-2
Product Name
3-Bromo-9,10-phenanthrenedione
Structure
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
3-bromophenanthrene-9,10-dione
Molecular Weight
287.11g/mol
Molecular Formula
C14H7BrO2
Canonical SMILES
C1=CC=C2C(=C1)C3=C(C=CC(=C3)Br)C(=O)C2=O
InChI
InChI=1S/C14H7BrO2/c15-8-5-6-11-12(7-8)9-3-1-2-4-10(9)13(16)14(11)17/h1-7H
InChI Key
OFVPOKPVPJPQAY-UHFFFAOYSA-N
Complexity
352
Covalently-Bonded Unit Count
1
Exact Mass
285.96294g/mol
Formal Charge
0
Heavy Atom Count
17
Monoisotopic Mass
285.96294g/mol
Rotatable Bond Count
0
XLogP3
3.2
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