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Home > Nitro Compounds > 83831-32-7
83831-32-7 | N-[4-(3-Nitro-phenyl)-thiazol-2-yl]-guanidine
CAS No: 83831-32-7 Catalog No: AG01FAI7 MDL No:
Product Description
Catalog Number:
AG01FAI7
Chemical Name:
N-[4-(3-Nitro-phenyl)-thiazol-2-yl]-guanidine
CAS Number:
83831-32-7
Molecular Formula:
C10H9N5O2S
Molecular Weight:
263.2758
IUPAC Name:
2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]guanidine
InChI:
InChI=1S/C10H9N5O2S/c11-9(12)14-10-13-8(5-18-10)6-2-1-3-7(4-6)15(16)17/h1-5H,(H4,11,12,13,14)
InChI Key:
AAYTYDUUQQDZBH-UHFFFAOYSA-N
SMILES:
NC(=N)Nc1scc(n1)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:
263.048g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.275g/mol
Monoisotopic Mass:
263.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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