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88122-94-5 | Isoquinoline, 4-methyl-1-phenyl-
CAS No: 88122-94-5 Catalog No: AG004IGK MDL No:
Product Description
Catalog Number:
AG004IGK
Chemical Name:
Isoquinoline, 4-methyl-1-phenyl-
CAS Number:
88122-94-5
Molecular Formula:
C16H13N
Molecular Weight:
219.2811
IUPAC Name:
4-methyl-1-phenylisoquinoline
InChI:
InChI=1S/C16H13N/c1-12-11-17-16(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15/h2-11H,1H3
InChI Key:
FXKYLAPEKMFPOD-UHFFFAOYSA-N
SMILES:
Cc1cnc(c2c1cccc2)c1ccccc1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.287g/mol
Monoisotopic Mass:
219.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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