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19571-30-3 | Isoquinoline, 4-phenyl-
CAS No: 19571-30-3 Catalog No: AG007R7V MDL No:
Product Description
Catalog Number:
AG007R7V
Chemical Name:
Isoquinoline, 4-phenyl-
CAS Number:
19571-30-3
Molecular Formula:
C15H11N
Molecular Weight:
205.2545
IUPAC Name:
4-phenylisoquinoline
InChI:
InChI=1S/C15H11N/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15/h1-11H
InChI Key:
MVTFMJPVPXNIFC-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cncc2c1cccc2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.26g/mol
Monoisotopic Mass:
205.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| An efficient organocatalytic method for constructing biaryls through aromatic C-H activation. | Nature chemistry 20101201 |
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