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13226-09-0

13226-09-0 | Isoquinoline, 1-(5-phenyl-1H-pyrrol-2-yl)-

CAS No: 13226-09-0 Catalog No: AG0010GV MDL No:

Product Description

Catalog Number:
AG0010GV
Chemical Name:
Isoquinoline, 1-(5-phenyl-1H-pyrrol-2-yl)-
CAS Number:
13226-09-0
Molecular Formula:
C19H14N2
Molecular Weight:
270.3279
IUPAC Name:
1-(5-phenyl-1H-pyrrol-2-yl)isoquinoline
InChI:
InChI=1S/C19H14N2/c1-2-7-15(8-3-1)17-10-11-18(21-17)19-16-9-5-4-6-14(16)12-13-20-19/h1-13,21H
InChI Key:
IZYDUNMNHULGOI-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccc([nH]1)c1nccc2c1cccc2
NSC Number:
116644

Properties

Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.116g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
270.335g/mol
Monoisotopic Mass:
270.116g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  

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