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N-[(2H-1,3-benzodioxol-5-ylmethyl)imino]guanidine

N-[(2H-1,3-benzodioxol-5-ylmethyl)imino]guanidine

Formula: C9H10N4O2

SMILES: NC(=N)N=NCC1=CC=C2OCOC2=C1

IUPAC: N-{[(2H-1,3-benzodioxol-5-yl)methyl]imino}guanidine

InChI: InChI=1S/C9H10N4O2/c10-9(11)13-12-4-6-1-2-7-8(3-6)15-5-14-7/h1-3H,4-5H2,(H3,10,11)

Composition: C (52.42%), H (4.89%), N (27.17%), O (15.52%)

Molar Mass: 206.205

Atom Count: 25

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 206.080375578
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey CZFGPQSEDSERGA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.11
Topological Polar Surface Area 93.05
Polarizability 20.08
Ring Count 2
Rotatable Bond Count 2

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OTAVA LTD.
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Purity LeadTime Formula PacketSize UnitPrice
95% <10 Days C9H10N4O2 $162.27-$525.90$162.27$279.57$525.90
MFCD00790602
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Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C9H10N4O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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