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229-67-4 | Benz[f]isoquinoline
CAS No: 229-67-4 Catalog No: AG002LDZ MDL No:
Product Description
Catalog Number:
AG002LDZ
Chemical Name:
Benz[f]isoquinoline
CAS Number:
229-67-4
Molecular Formula:
C13H9N
Molecular Weight:
179.2173
IUPAC Name:
benzo[f]isoquinoline
InChI:
InChI=1S/C13H9N/c1-2-4-12-10(3-1)5-6-11-9-14-8-7-13(11)12/h1-9H
InChI Key:
JQXCGCPMGZBMLE-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)ccc1c2ccnc1
Properties
Complexity:
201
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:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| BF3-promoted synthesis of diarylhexahydrobenzo[f]isoquinoline. | Organic letters 20100319 |
| Highly regioselective anaerobic photocyclization of 3-styrylpyridines. | Journal of the American Chemical Society 20010502 |
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