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89418-54-2 | HYDROXY-[[N-[(5-NITRO-2-FURYL)METHYLIDENEAMINO]CARBAMIMIDOYL]AMINO]-OXO-AZANIUM
CAS No: 89418-54-2 Catalog No: AG004632 MDL No:
Product Description
Catalog Number:
AG004632
Chemical Name:
HYDROXY-[[N-[(5-NITRO-2-FURYL)METHYLIDENEAMINO]CARBAMIMIDOYL]AMINO]-OXO-AZANIUM
CAS Number:
89418-54-2
Molecular Formula:
C6H7N6O5+
Molecular Weight:
243.1570
IUPAC Name:
hydroxy-[[N'-[(5-nitrofuran-2-yl)methylideneamino]carbamimidoyl]amino]-oxoazanium
InChI:
InChI=1S/C6H7N6O5/c7-6(10-12(15)16)9-8-3-4-1-2-5(17-4)11(13)14/h1-3H,(H,15,16)(H3,7,9,10)/q+1
InChI Key:
AYLPLPKSUJRCHS-UHFFFAOYSA-N
SMILES:
O[N+](=O)NC(=N)NN=Cc1ccc(o1)[N+](=O)[O-]
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.048g/mol
Formal Charge:
1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
243.159g/mol
Monoisotopic Mass:
243.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
0.7
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