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1-Chloro-9,10-bis(phenylethynyl)anthracene, 97%

Catalog Number
ACM41105355-1
CAS Number
41105-35-5
Product Name
1-Chloro-9,10-bis(phenylethynyl)anthracene, 97%
Structure
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
1-chloro-9,10-bis(2-phenylethynyl)anthracene
Molecular Weight
412.9g/mol
Molecular Formula
C30H17Cl
Canonical SMILES
C1=CC=C(C=C1)C#CC2=C3C=CC=C(C3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5)Cl
InChI
InChI=1S/C30H17Cl/c31-29-17-9-16-27-26(20-18-22-10-3-1-4-11-22)24-14-7-8-15-25(24)28(30(27)29)21-19-23-12-5-2-6-13-23/h1-17H
InChI Key
IMMCAKJISYGPDQ-UHFFFAOYSA-N
Complexity
727
Covalently-Bonded Unit Count
1
EC Number
255-220-1
Exact Mass
412.101878g/mol
Formal Charge
0
Heavy Atom Count
31
Monoisotopic Mass
412.101878g/mol
Rotatable Bond Count
4
XLogP3
9.1
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