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Home > Fluorides > 1167055-91-5
1167055-91-5 | 1H-Indazole-3-carbonitrile, 4-fluoro-6-nitro-
CAS No: 1167055-91-5 Catalog No: AG000D1K MDL No:
Product Description
Catalog Number:
AG000D1K
Chemical Name:
1H-Indazole-3-carbonitrile, 4-fluoro-6-nitro-
CAS Number:
1167055-91-5
Molecular Formula:
C8H3FN4O2
Molecular Weight:
206.1334
IUPAC Name:
4-fluoro-6-nitro-1H-indazole-3-carbonitrile
InChI:
InChI=1S/C8H3FN4O2/c9-5-1-4(13(14)15)2-6-8(5)7(3-10)12-11-6/h1-2H,(H,11,12)
InChI Key:
JLAQRZGXIQRIGO-UHFFFAOYSA-N
SMILES:
N#Cc1n[nH]c2c1c(F)cc(c2)[N+](=O)[O-]
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.024g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.136g/mol
Monoisotopic Mass:
206.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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