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1147447-05-9

1147447-05-9 | 4-(5-Bromo-pyridin-2-yl)-isoquinoline

CAS No: 1147447-05-9 Catalog No: AG01FCW2 MDL No:

Product Description

Catalog Number:
AG01FCW2
Chemical Name:
4-(5-Bromo-pyridin-2-yl)-isoquinoline
CAS Number:
1147447-05-9
Molecular Formula:
C14H9BrN2
Molecular Weight:
285.1387
IUPAC Name:
4-(5-bromopyridin-2-yl)isoquinoline
InChI:
InChI=1S/C14H9BrN2/c15-11-5-6-14(17-8-11)13-9-16-7-10-3-1-2-4-12(10)13/h1-9H
InChI Key:
JTYRNQDDKWKZLP-UHFFFAOYSA-N
SMILES:
Brc1ccc(nc1)c1cncc2c1cccc2

Properties

Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.995g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.144g/mol
Monoisotopic Mass:
283.995g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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