Home Nitriles 1H-Indazole-7-carbonitrile, 4-fluoro-

1H-Indazole-7-carbonitrile, 4-fluoro-

CAS No.:
1408058-17-2
Catalog Number:
AG001CS8
Molecular Formula:
C8H4FN3
Molecular Weight:
161.1359
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Product Description
Catalog Number:
AG001CS8
Chemical Name:
1H-Indazole-7-carbonitrile, 4-fluoro-
CAS Number:
1408058-17-2
Molecular Formula:
C8H4FN3
Molecular Weight:
161.1359
MDL Number:
MFCD22574991
IUPAC Name:
4-fluoro-1H-indazole-7-carbonitrile
InChI:
InChI=1S/C8H4FN3/c9-7-2-1-5(3-10)8-6(7)4-11-12-8/h1-2,4H,(H,11,12)
InChI Key:
CALJWEONZADKAL-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1[nH]nc2)F
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.039g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.139g/mol
Monoisotopic Mass:
161.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties