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Home > Imidazoles > 130482-32-5
130482-32-5 | 1H-Imidazole, 1-(4-isothiocyanato-2-nitrophenyl)-
CAS No: 130482-32-5 Catalog No: AG000UHN MDL No:
Product Description
Catalog Number:
AG000UHN
Chemical Name:
1H-Imidazole, 1-(4-isothiocyanato-2-nitrophenyl)-
CAS Number:
130482-32-5
Molecular Formula:
C10H6N4O2S
Molecular Weight:
246.2452
IUPAC Name:
1-(4-isothiocyanato-2-nitrophenyl)imidazole
InChI:
InChI=1S/C10H6N4O2S/c15-14(16)10-5-8(12-7-17)1-2-9(10)13-4-3-11-6-13/h1-6H
InChI Key:
GFXQUCWFEPCALC-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c(c1)[N+](=O)[O-])n1ccnc1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.021g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.244g/mol
Monoisotopic Mass:
246.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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