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24464-35-5 | Isoquinoline, 5-phenyl-
CAS No: 24464-35-5 Catalog No: AG002O81 MDL No:
Product Description
Catalog Number:
AG002O81
Chemical Name:
Isoquinoline, 5-phenyl-
CAS Number:
24464-35-5
Molecular Formula:
C15H11N
Molecular Weight:
205.2545
IUPAC Name:
5-phenylisoquinoline
InChI:
InChI=1S/C15H11N/c1-2-5-12(6-3-1)14-8-4-7-13-11-16-10-9-15(13)14/h1-11H
InChI Key:
GYJGJXYPSARKLW-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cccc2c1ccnc2
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
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