200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 100558-57-4
100558-57-4 | 1,1'-Biphenyl, 4-[2-(4-ethylphenyl)ethynyl]-4'-pentyl-
CAS No: 100558-57-4 Catalog No: AG0002BN MDL No:
Product Description
Catalog Number:
AG0002BN
Chemical Name:
1,1'-Biphenyl, 4-[2-(4-ethylphenyl)ethynyl]-4'-pentyl-
CAS Number:
100558-57-4
Molecular Formula:
C27H28
Molecular Weight:
352.5112
IUPAC Name:
1-ethyl-4-[2-[4-(4-pentylphenyl)phenyl]ethynyl]benzene
InChI:
InChI=1S/C27H28/c1-3-5-6-7-23-14-18-26(19-15-23)27-20-16-25(17-21-27)13-12-24-10-8-22(4-2)9-11-24/h8-11,14-21H,3-7H2,1-2H3
InChI Key:
XTUDXKUWNFJEKZ-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)c1ccc(cc1)C#Cc1ccc(cc1)CC
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.219g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.521g/mol
Monoisotopic Mass:
352.219g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.