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1,6-Dibromo-3,8-diisopropylpyrene

Catalog Number
ACM869340023
CAS Number
869340-02-3
Product Name
1,6-Dibromo-3,8-diisopropylpyrene
Structure
Category
Small Molecule Semiconductor Building Blocks
IUPAC Name
1,6-dibromo-3,8-di(propan-2-yl)pyrene
Molecular Weight
444.2g/mol
Molecular Formula
C22H20Br2
Canonical SMILES
CC(C)C1=CC(=C2C=CC3=C4C2=C1C=CC4=C(C=C3C(C)C)Br)Br
InChI
InChI=1S/C22H20Br2/c1-11(2)17-9-19(23)15-8-6-14-18(12(3)4)10-20(24)16-7-5-13(17)21(15)22(14)16/h5-12H,1-4H3
InChI Key
NNVZVNMCMRPEND-UHFFFAOYSA-N
Complexity
417
Covalently-Bonded Unit Count
1
Exact Mass
443.99113g/mol
Formal Charge
0
Heavy Atom Count
24
Monoisotopic Mass
441.99318g/mol
Rotatable Bond Count
2
XLogP3
8.7
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