200,000+ products from a single source!
sales@angenechem.com
70437-09-1 | Isoquinoline, 1-(phenylethynyl)-
CAS No: 70437-09-1 Catalog No: AG0069C3 MDL No:
Product Description
Catalog Number:
AG0069C3
Chemical Name:
Isoquinoline, 1-(phenylethynyl)-
CAS Number:
70437-09-1
Molecular Formula:
C17H11N
Molecular Weight:
229.2759
IUPAC Name:
1-(2-phenylethynyl)isoquinoline
InChI:
InChI=1S/C17H11N/c1-2-6-14(7-3-1)10-11-17-16-9-5-4-8-15(16)12-13-18-17/h1-9,12-13H
InChI Key:
JNSVNHMWHHKCTC-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C#Cc1nccc2c1cccc2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.089g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.282g/mol
Monoisotopic Mass:
229.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Quantum chemical calculations to reveal the relationship between the chemical structure and the fluorescence characteristics of phenylquinolinylethynes and phenylisoquinolinylethynes derivatives, and to predict their relative fluorescence intensity. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20091201 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.