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101273-46-5 | Isoquinoline, 1-(4-methylphenyl)-
CAS No: 101273-46-5 Catalog No: AG00044K MDL No:
Product Description
Catalog Number:
AG00044K
Chemical Name:
Isoquinoline, 1-(4-methylphenyl)-
CAS Number:
101273-46-5
Molecular Formula:
C16H13N
Molecular Weight:
219.2811
IUPAC Name:
1-(4-methylphenyl)isoquinoline
InChI:
InChI=1S/C16H13N/c1-12-6-8-14(9-7-12)16-15-5-3-2-4-13(15)10-11-17-16/h2-11H,1H3
InChI Key:
QJAZVTOBOGKESU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nccc2c1cccc2
Properties
Complexity:
242
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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