Home Nitriles 8-fluoroquinoline-3-carbonitrile

8-fluoroquinoline-3-carbonitrile

CAS No.:
71083-52-8
Catalog Number:
AG00IC53
Molecular Formula:
C10H5FN2
Molecular Weight:
172.1585
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Product Description
Catalog Number:
AG00IC53
Chemical Name:
8-fluoroquinoline-3-carbonitrile
CAS Number:
71083-52-8
Molecular Formula:
C10H5FN2
Molecular Weight:
172.1585
MDL Number:
MFCD27500875
IUPAC Name:
8-fluoroquinoline-3-carbonitrile
InChI:
InChI=1S/C10H5FN2/c11-9-3-1-2-8-4-7(5-12)6-13-10(8)9/h1-4,6H
InChI Key:
HNRWQTSDXOMTGG-UHFFFAOYSA-N
SMILES:
N#Cc1cnc2c(c1)cccc2F
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