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Home > Nitro Compounds > 88540-90-3
88540-90-3 | Guanidine, [4-(4-methyl-3-nitrophenyl)-2-thiazolyl]-
CAS No: 88540-90-3 Catalog No: AG004FV8 MDL No:
Product Description
Catalog Number:
AG004FV8
Chemical Name:
Guanidine, [4-(4-methyl-3-nitrophenyl)-2-thiazolyl]-
CAS Number:
88540-90-3
Molecular Formula:
C11H11N5O2S
Molecular Weight:
277.3023
IUPAC Name:
2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]guanidine
InChI:
InChI=1S/C11H11N5O2S/c1-6-2-3-7(4-9(6)16(17)18)8-5-19-11(14-8)15-10(12)13/h2-5H,1H3,(H4,12,13,14,15)
InChI Key:
UMGNEEOXJKZGBT-UHFFFAOYSA-N
SMILES:
NC(=N)Nc1scc(n1)c1ccc(c(c1)[N+](=O)[O-])C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.063g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.302g/mol
Monoisotopic Mass:
277.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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