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947534-76-1 | 6-(3-NITRO-PHENYL)-IMIDAZO[1,2-D][1,2,4]THIADIAZOLE
CAS No: 947534-76-1 Catalog No: AG0068H4 MDL No:
Product Description
Catalog Number:
AG0068H4
Chemical Name:
6-(3-NITRO-PHENYL)-IMIDAZO[1,2-D][1,2,4]THIADIAZOLE
CAS Number:
947534-76-1
Molecular Formula:
C10H6N4O2S
Molecular Weight:
246.2452
IUPAC Name:
6-(3-nitrophenyl)imidazo[1,2-d][1,2,4]thiadiazole
InChI:
InChI=1S/C10H6N4O2S/c15-14(16)8-3-1-2-7(4-8)9-5-13-6-11-17-10(13)12-9/h1-6H
InChI Key:
KSARWFSCMMZSTJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1cn2c(n1)snc2
Properties
Complexity:
311
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:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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