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179411-62-2 | 2-Thiazolamine, 4-(4-nitrophenoxy)-
CAS No: 179411-62-2 Catalog No: AG0026ZF MDL No:
Product Description
Catalog Number:
AG0026ZF
Chemical Name:
2-Thiazolamine, 4-(4-nitrophenoxy)-
CAS Number:
179411-62-2
Molecular Formula:
C9H7N3O3S
Molecular Weight:
237.2352
IUPAC Name:
4-(4-nitrophenoxy)-1,3-thiazol-2-amine
InChI:
InChI=1S/C9H7N3O3S/c10-9-11-8(5-16-9)15-7-3-1-6(2-4-7)12(13)14/h1-5H,(H2,10,11)
InChI Key:
QSXGMNMDMHYKEW-UHFFFAOYSA-N
SMILES:
Nc1scc(n1)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.233g/mol
Monoisotopic Mass:
237.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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