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72928-29-1 | [1,1'-Biphenyl]-4-carbonitrile,4'-(undecyloxy)-
CAS No: 72928-29-1 Catalog No: AG005DWH MDL No:
Product Description
Catalog Number:
AG005DWH
Chemical Name:
[1,1'-Biphenyl]-4-carbonitrile,4'-(undecyloxy)-
CAS Number:
72928-29-1
Molecular Formula:
C24H31NO
Molecular Weight:
349.5090
IUPAC Name:
4-(4-undecoxyphenyl)benzonitrile
InChI:
InChI=1S/C24H31NO/c1-2-3-4-5-6-7-8-9-10-19-26-24-17-15-23(16-18-24)22-13-11-21(20-25)12-14-22/h11-18H,2-10,19H2,1H3
InChI Key:
BWRJKFPLVHZYLY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCOc1ccc(cc1)c1ccc(cc1)C#N
EC Number:
277-063-8
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.241g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.518g/mol
Monoisotopic Mass:
349.241g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
Literature
| Title | Journal |
|---|---|
| Novel radical compounds bearing mesogenic cores with long alkyl substituents. | The Journal of organic chemistry 20030307 |
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