Name: Name:1,1'-Biphenyl, 4-butyl-4'-[(4-butyl-2,6-difluorophenyl)ethynyl]-
Brand: Angene
SKU: AG003863
Rating: 90 (10 reviews)

1,1'-Biphenyl, 4-butyl-4'-[(4-butyl-2,6-difluorophenyl)ethynyl]-

CAS No.:

221526-80-3

Catalog Number:

AG003863

Molecular Formula:

C28H28F2

Molecular Weight:

402.5187

Catalog Number:

AG003863

Chemical Name:

1,1'-Biphenyl, 4-butyl-4'-[(4-butyl-2,6-difluorophenyl)ethynyl]-

CAS Number:

221526-80-3

Molecular Formula:

C28H28F2

Molecular Weight:

402.5187

MDL Number:

MFCD30145890

IUPAC Name:

5-butyl-2-[2-[4-(4-butylphenyl)phenyl]ethynyl]-1,3-difluorobenzene

InChI:

InChI=1S/C28H28F2/c1-3-5-7-21-9-14-24(15-10-21)25-16-11-22(12-17-25)13-18-26-27(29)19-23(8-6-4-2)20-28(26)30/h9-12,14-17,19-20H,3-8H2,1-2H3

InChI Key:

FJTKLKYXSCOTTL-UHFFFAOYSA-N

SMILES:

CCCCc1ccc(cc1)c1ccc(cc1)C#Cc1c(F)cc(cc1F)CCCC

Complexity:

530

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

402.216g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

402.529g/mol

Monoisotopic Mass:

402.216g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

9.5