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4,4''-Dinitro-p-terphenyl

Catalog Number
ACM3282119-1
Product Name
4,4''-Dinitro-p-terphenyl
Structure
CAS
3282-11-9
Category
Small Molecule Semiconductor Building Blocks
IUPAC Name
1,4-bis(4-nitrophenyl)benzene
Molecular Weight
320.3
Molecular Formula
C18H12N2O4
Canonical SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H12N2O4/c21-19(22)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)20(23)24/h1-12H
InChI Key
MHOAYDHUNGLDTB-UHFFFAOYSA-N
Melting Point
274 °C
Purity
>97.0%(HPLC)(N)
Appearance
Light orange to Yellow to Green powder to crystal
Complexity
393
Covalently-Bonded Unit Count
1
Exact Mass
320.079707g/mol
Formal Charge
0
Heavy Atom Count
24
MDL Number
MFCD00051743
Monoisotopic Mass
320.079707g/mol
NSC Number
516219
Rotatable Bond Count
2
XLogP3
4.8
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