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Home > Fluorides > 1227270-90-7
1227270-90-7 | 1H-Indazole-4-carbonitrile, 6-fluoro-
CAS No: 1227270-90-7 Catalog No: AG000J7W MDL No:
Product Description
Catalog Number:
AG000J7W
Chemical Name:
1H-Indazole-4-carbonitrile, 6-fluoro-
CAS Number:
1227270-90-7
Molecular Formula:
C8H4FN3
Molecular Weight:
161.1359
IUPAC Name:
6-fluoro-1H-indazole-4-carbonitrile
InChI:
InChI=1S/C8H4FN3/c9-6-1-5(3-10)7-4-11-12-8(7)2-6/h1-2,4H,(H,11,12)
InChI Key:
UTPVMKOSLAIQMG-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)cc2c1cn[nH]2
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
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