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Home > Fluorides > 114895-04-4
114895-04-4 | Diazenecarbonitrile, 2-(3-fluorophenyl)-, 2-oxide
CAS No: 114895-04-4 Catalog No: AG000FEF MDL No:
Product Description
Catalog Number:
AG000FEF
Chemical Name:
Diazenecarbonitrile, 2-(3-fluorophenyl)-, 2-oxide
CAS Number:
114895-04-4
Molecular Formula:
C7H4FN3O
Molecular Weight:
165.1246
IUPAC Name:
cyanoimino-(3-fluorophenyl)-oxidoazanium
InChI:
InChI=1S/C7H4FN3O/c8-6-2-1-3-7(4-6)11(12)10-5-9/h1-4H
InChI Key:
MCZLQSCLKDLSRZ-UHFFFAOYSA-N
SMILES:
N#CN=[N+](c1cccc(c1)F)[O-]
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.034g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.127g/mol
Monoisotopic Mass:
165.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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