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16239-84-2 | 2-Thiazolamine, 4-[2-(5-nitro-2-furanyl)ethenyl]-
CAS No: 16239-84-2 Catalog No: AG001T2P MDL No:
Product Description
Catalog Number:
AG001T2P
Chemical Name:
2-Thiazolamine, 4-[2-(5-nitro-2-furanyl)ethenyl]-
CAS Number:
16239-84-2
Molecular Formula:
C9H7N3O3S
Molecular Weight:
237.2352
IUPAC Name:
4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazol-2-amine
InChI:
InChI=1S/C9H7N3O3S/c10-9-11-6(5-16-9)1-2-7-3-4-8(15-7)12(13)14/h1-5H,(H2,10,11)/b2-1+
InChI Key:
PJXJAGDUUTVQRV-OWOJBTEDSA-N
SMILES:
Nc1scc(n1)C=Cc1ccc(o1)[N+](=O)[O-]
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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