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2315-20-0 | Hydrazinecarboximidamide, 2-[3-(5-nitro-2-furanyl)-1-[2-(5-nitro-2-furanyl)ethenyl]-2-propen-1-ylidene]-, hydrochloride (1:1)
CAS No: 2315-20-0 Catalog No: AG002MDN MDL No:MFCD00242893
Product Description
Catalog Number:
AG002MDN
Chemical Name:
Hydrazinecarboximidamide, 2-[3-(5-nitro-2-furanyl)-1-[2-(5-nitro-2-furanyl)ethenyl]-2-propen-1-ylidene]-, hydrochloride (1:1)
CAS Number:
2315-20-0
Molecular Formula:
C14H13ClN6O6
Molecular Weight:
396.7426
MDL Number:
MFCD00242893
IUPAC Name:
2-[[(1E,4E)-1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylidene]amino]guanidine;hydrochloride
InChI:
InChI=1S/C14H12N6O6.ClH/c15-14(16)18-17-9(1-3-10-5-7-12(25-10)19(21)22)2-4-11-6-8-13(26-11)20(23)24;/h1-8H,(H4,15,16,18);1H/b3-1+,4-2+;
InChI Key:
ZEGPTFVBNBCAHZ-LMFJUDGVSA-N
SMILES:
NC(=N)NN=C(C=Cc1ccc(o1)[N+](=O)[O-])C=Cc1ccc(o1)[N+](=O)[O-].Cl
EC Number:
219-018-7
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
396.059g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
396.744g/mol
Monoisotopic Mass:
396.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
195A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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