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Home > Nitro Compounds > 114050-51-0
114050-51-0 | Thiocyanic acid, 5-nitro-2-furanyl ester
CAS No: 114050-51-0 Catalog No: AG000AFP MDL No:
Product Description
Catalog Number:
AG000AFP
Chemical Name:
Thiocyanic acid, 5-nitro-2-furanyl ester
CAS Number:
114050-51-0
Molecular Formula:
C5H2N2O3S
Molecular Weight:
170.1460
IUPAC Name:
(5-nitrofuran-2-yl) thiocyanate
InChI:
InChI=1S/C5H2N2O3S/c6-3-11-5-2-1-4(10-5)7(8)9/h1-2H
InChI Key:
FAVLTZDNJZMDOG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)SC#N
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.979g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.142g/mol
Monoisotopic Mass:
169.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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