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24973-50-0 | 3-CYANOBIPHENYL
CAS No: 24973-50-0 Catalog No: AG002Q28 MDL No:MFCD00236364
Product Description
Catalog Number:
AG002Q28
Chemical Name:
3-CYANOBIPHENYL
CAS Number:
24973-50-0
Molecular Formula:
C13H9N
Molecular Weight:
179.2173
MDL Number:
MFCD00236364
IUPAC Name:
3-phenylbenzonitrile
InChI:
InChI=1S/C13H9N/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H
InChI Key:
SYHJILPZUNKNHQ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1ccccc1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.073g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.222g/mol
Monoisotopic Mass:
179.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| On the interpretation of continuous wave electron spin resonance spectra of tempo-palmitate in 5-cyanobiphenyl. | The Journal of chemical physics 20080114 |
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