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Home > Fluorides > 182060-01-1
182060-01-1 | 1H-1,2,4-Triazole, 1-(2-fluoro-4-nitrophenyl)-
CAS No: 182060-01-1 Catalog No: AG0023BV MDL No:
Product Description
Catalog Number:
AG0023BV
Chemical Name:
1H-1,2,4-Triazole, 1-(2-fluoro-4-nitrophenyl)-
CAS Number:
182060-01-1
Molecular Formula:
C8H5FN4O2
Molecular Weight:
208.1493
IUPAC Name:
1-(2-fluoro-4-nitrophenyl)-1,2,4-triazole
InChI:
InChI=1S/C8H5FN4O2/c9-7-3-6(13(14)15)1-2-8(7)12-5-10-4-11-12/h1-5H
InChI Key:
JTOQNQIBUCTGFM-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1n1cncn1)[N+](=O)[O-]
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.152g/mol
Monoisotopic Mass:
208.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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