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Home > Nitro Compounds > 88540-92-5
88540-92-5 | Guanidine, [4-(4-methoxy-3-nitrophenyl)-2-thiazolyl]-
CAS No: 88540-92-5 Catalog No: AG004DSE MDL No:
Product Description
Catalog Number:
AG004DSE
Chemical Name:
Guanidine, [4-(4-methoxy-3-nitrophenyl)-2-thiazolyl]-
CAS Number:
88540-92-5
Molecular Formula:
C11H11N5O3S
Molecular Weight:
293.3017
IUPAC Name:
2-[4-(4-methoxy-3-nitrophenyl)-1,3-thiazol-2-yl]guanidine
InChI:
InChI=1S/C11H11N5O3S/c1-19-9-3-2-6(4-8(9)16(17)18)7-5-20-11(14-7)15-10(12)13/h2-5H,1H3,(H4,12,13,14,15)
InChI Key:
QXQRIOMDNCOOQY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1[N+](=O)[O-])c1csc(n1)NC(=N)N
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.058g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.301g/mol
Monoisotopic Mass:
293.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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