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Home > Nitro Compounds > 88541-04-2
88541-04-2 | Guanidine, [5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-
CAS No: 88541-04-2 Catalog No: AG004FV4 MDL No:
Product Description
Catalog Number:
AG004FV4
Chemical Name:
Guanidine, [5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-
CAS Number:
88541-04-2
Molecular Formula:
C9H8N6O2S
Molecular Weight:
264.2638
IUPAC Name:
2-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]guanidine
InChI:
InChI=1S/C9H8N6O2S/c10-8(11)12-9-14-13-7(18-9)5-2-1-3-6(4-5)15(16)17/h1-4H,(H4,10,11,12,14)
InChI Key:
QTOHDCNXPHVXSZ-UHFFFAOYSA-N
SMILES:
NC(=N)Nc1nnc(s1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
342
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:
0.7
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