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2-bromo-2',4',6'-triisopropyl-3-methoxy-6-methyl-1,1'-biphenyl

2-bromo-2',4',6'-triisopropyl-3-methoxy-6-methyl-1,1'-biphenyl

Formula: C23H31BrO

SMILES: COC1=C(Br)C(=C(C)C=C1)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C

IUPAC: 2-bromo-3-methoxy-6-methyl-2',4',6'-tris(propan-2-yl)-1,1'-biphenyl

InChI: InChI=1S/C23H31BrO/c1-13(2)17-11-18(14(3)4)22(19(12-17)15(5)6)21-16(7)9-10-20(25-8)23(21)24/h9-15H,1-8H3

Composition: C (68.48%), H (7.75%), Br (19.81%), O (3.97%)

Molar Mass: 403.404

Atom Count: 56

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 402.155829
Formal Charge 0
FSP3 0.48
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey BPTMKQBVEXFTMJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 112.89
Topological Polar Surface Area 9.23
Polarizability 44.55
Ring Count 2
Rotatable Bond Count 4

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