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Home > Indoles and Oxindole > 13708-33-3
13708-33-3 | Isoquinoline, 1-(1H-indol-3-yl)-
CAS No: 13708-33-3 Catalog No: AG0012TX MDL No:
Product Description
Catalog Number:
AG0012TX
Chemical Name:
Isoquinoline, 1-(1H-indol-3-yl)-
CAS Number:
13708-33-3
Molecular Formula:
C17H12N2
Molecular Weight:
244.2906
IUPAC Name:
1-(1H-indol-3-yl)isoquinoline
InChI:
InChI=1S/C17H12N2/c1-2-6-13-12(5-1)9-10-18-17(13)15-11-19-16-8-4-3-7-14(15)16/h1-11,19H
InChI Key:
DMONRIXWBGGWOT-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)ccnc2c1c[nH]c2c1cccc2
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.297g/mol
Monoisotopic Mass:
244.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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