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3-Bromo-4',4''-dimethyltriphenylamine

Catalog NumberACM845526912-1

CAS Number845526-91-2

CategorySmall Molecule Semiconductor Building Blocks

3-Bromo-4',4''-dimethyltriphenylamine
IUPAC Name
3-bromo-N,N-bis(4-methylphenyl)aniline
Molecular Weight
352.3g/mol
Molecular Formula
C20H18BrN
Canonical SMILES
CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC(=CC=C3)Br
InChI
InChI=1S/C20H18BrN/c1-15-6-10-18(11-7-15)22(19-12-8-16(2)9-13-19)20-5-3-4-17(21)14-20/h3-14H,1-2H3
InChI Key
LBLFZUNRAGUAFR-UHFFFAOYSA-N
Complexity
307
Covalently-Bonded Unit Count
1
Exact Mass
351.06226g/mol
Formal Charge
0
Heavy Atom Count
22
Monoisotopic Mass
351.06226g/mol
Rotatable Bond Count
3
XLogP3
6.6
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