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100537-27-7 | Isoquinoline, 1-(4-pyridinyl)-
CAS No: 100537-27-7 Catalog No: AG0002AJ MDL No:
Product Description
Catalog Number:
AG0002AJ
Chemical Name:
Isoquinoline, 1-(4-pyridinyl)-
CAS Number:
100537-27-7
Molecular Formula:
C14H10N2
Molecular Weight:
206.2426
IUPAC Name:
1-pyridin-4-ylisoquinoline
InChI:
InChI=1S/C14H10N2/c1-2-4-13-11(3-1)7-10-16-14(13)12-5-8-15-9-6-12/h1-10H
InChI Key:
XIBYZHXJOSZRCQ-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)c1nccc2c1cccc2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.248g/mol
Monoisotopic Mass:
206.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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