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1,3-Dibromo-7-tert-butylpyrene

Catalog Number
ACM1005771049
CAS Number
1005771-04-9
Product Name
1,3-Dibromo-7-tert-butylpyrene
Structure
Category
Small Molecule Semiconductor Building Blocks; Semiconductor Blocks
IUPAC Name
1,3-dibromo-7-tert-butylpyrene
Molecular Weight
416.1g/mol
Molecular Formula
C20H16Br2
Canonical SMILES
CC(C)(C)C1=CC2=C3C(=C1)C=CC4=C3C(=C(C=C4Br)Br)C=C2
InChI
InChI=1S/C20H16Br2/c1-20(2,3)13-8-11-4-6-14-16(21)10-17(22)15-7-5-12(9-13)18(11)19(14)15/h4-10H,1-3H3
InChI Key
BARYQDOQFLJABV-UHFFFAOYSA-N
Complexity
396
Covalently-Bonded Unit Count
1
Exact Mass
415.95983g/mol
Formal Charge
0
Heavy Atom Count
22
Monoisotopic Mass
413.96188g/mol
Rotatable Bond Count
1
XLogP3
8.1
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