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N-{[(1E,4E)-1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-yl]imino}guanidine hydrochloride

N-{[(1E,4E)-1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-yl]imino}guanidine hydrochloride

CAS: 2315-20-0

Formula: C14H13ClN6O6

SMILES: Cl.NC(=N)N=NC(C=CC1=CC=C(O1)[N+]([O-])=O)C=CC1=CC=C(O1)[N+]([O-])=O

IUPAC: N-{[(1E,4E)-1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-yl]imino}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;/h1-9H,(H3,15,16);1H/b3-1+,4-2+,18-17?;

Composition: C (42.38%), H (3.30%), Cl (8.94%), N (21.18%), O (24.20%)

Molar Mass: 396.74

Atom Count: 40

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 396.0585099
Formal Charge 0
FSP3 0.07
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 2
InChIKey KVEKZKNECFGCGQ-NDHBDNANSA-N
Lipinski's Rule of Five 1
Molar Refractivity 98.2
Topological Polar Surface Area 187.15
Polarizability 31.83
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 2315-20-0 $38.98-$235.44$38.98$58.86$106.25$156.70$235.44
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