Home Nitriles 8-fluoroisoquinoline-5-carbonitrile

8-fluoroisoquinoline-5-carbonitrile

CAS No.:
1368344-45-9
Catalog Number:
AG01AC62
Molecular Formula:
C10H5FN2
Molecular Weight:
172.1585
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Product Description
Catalog Number:
AG01AC62
Chemical Name:
8-fluoroisoquinoline-5-carbonitrile
CAS Number:
1368344-45-9
Molecular Formula:
C10H5FN2
Molecular Weight:
172.1585
MDL Number:
MFCD26407892
IUPAC Name:
8-fluoroisoquinoline-5-carbonitrile
InChI:
InChI=1S/C10H5FN2/c11-10-2-1-7(5-12)8-3-4-13-6-9(8)10/h1-4,6H
InChI Key:
LZWQYAAANDPQJE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1ccnc2)F
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.044g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.162g/mol
Monoisotopic Mass:
172.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties