4-butyl-4'-[2-(2,6-difluoro-4-propylphenyl)ethynyl]-1,1'-biphenyl

4-butyl-4'-[2-(2,6-difluoro-4-propylphenyl)ethynyl]-1,1'-biphenyl

CAS: 1229648-10-5

Formula: C27H26F2

SMILES: CCCCC1=CC=C(C=C1)C1=CC=C(C=C1)C#CC1=C(F)C=C(CCC)C=C1F

IUPAC: 4-butyl-4'-[2-(2,6-difluoro-4-propylphenyl)ethynyl]-1,1'-biphenyl

InChI: InChI=1S/C27H26F2/c1-3-5-7-20-8-13-23(14-9-20)24-15-10-21(11-16-24)12-17-25-26(28)18-22(6-4-2)19-27(25)29/h8-11,13-16,18-19H,3-7H2,1-2H3

Composition: C (83.47%), H (6.75%), F (9.78%)

Molar Mass: 388.502

Atom Count: 55

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	388.200257163
Formal Charge	0
FSP3	0.26
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	RBJRHDYLEBIIBC-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	112.55
Topological Polar Surface Area	0
Polarizability	45.51
Ring Count	3
Rotatable Bond Count	8

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	1229648-10-5		$20.18-$228.24$20.18$69.36$228.24