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N-{[(5-nitrofuran-2-yl)methyl]imino}guanidine hydrochloride

N-{[(5-nitrofuran-2-yl)methyl]imino}guanidine hydrochloride

CAS: 946-48-5

Formula: C6H8ClN5O3

SMILES: Cl.NC(=N)N=NCC1=CC=C(O1)[N+]([O-])=O

IUPAC: N-{[(5-nitrofuran-2-yl)methyl]imino}guanidine hydrochloride

InChI: InChI=1S/C6H7N5O3.ClH/c7-6(8)10-9-3-4-1-2-5(14-4)11(12)13;/h1-2H,3H2,(H3,7,8);1H

Composition: C (30.85%), H (3.45%), Cl (15.17%), N (29.98%), O (20.55%)

Molar Mass: 233.61

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 233.0315668
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey JZYUAGJNQPLSTN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.31
Topological Polar Surface Area 130.87
Polarizability 16.57
Ring Count 1
Rotatable Bond Count 3

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