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Home > Nitro Compounds > 88541-05-3
88541-05-3 | Guanidine, [3-(4-nitrophenyl)-1,2,4-thiadiazol-5-yl]-
CAS No: 88541-05-3 Catalog No: AG004DSC MDL No:
Product Description
Catalog Number:
AG004DSC
Chemical Name:
Guanidine, [3-(4-nitrophenyl)-1,2,4-thiadiazol-5-yl]-
CAS Number:
88541-05-3
Molecular Formula:
C9H8N6O2S
Molecular Weight:
264.2638
IUPAC Name:
2-[3-(4-nitrophenyl)-1,2,4-thiadiazol-5-yl]guanidine
InChI:
InChI=1S/C9H8N6O2S/c10-8(11)13-9-12-7(14-18-9)5-1-3-6(4-2-5)15(16)17/h1-4H,(H4,10,11,12,13,14)
InChI Key:
GCIAXBYBBWFVKE-UHFFFAOYSA-N
SMILES:
NC(=N)Nc1snc(n1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.043g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.263g/mol
Monoisotopic Mass:
264.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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