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188820-89-5 | Isoquinoline, 1-(1-methyl-1H-indol-3-yl)-
CAS No: 188820-89-5 Catalog No: AG002HDD MDL No:
Product Description
Catalog Number:
AG002HDD
Chemical Name:
Isoquinoline, 1-(1-methyl-1H-indol-3-yl)-
CAS Number:
188820-89-5
Molecular Formula:
C18H14N2
Molecular Weight:
258.3172
IUPAC Name:
1-(1-methylindol-3-yl)isoquinoline
InChI:
InChI=1S/C18H14N2/c1-20-12-16(15-8-4-5-9-17(15)20)18-14-7-3-2-6-13(14)10-11-19-18/h2-12H,1H3
InChI Key:
RQONMBVZDSYKGK-UHFFFAOYSA-N
SMILES:
Cn1cc(c2c1cccc2)c1nccc2c1cccc2
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.324g/mol
Monoisotopic Mass:
258.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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