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N-(3,5-dimethylphenyl)-N'-hydroxy-3-nitrobenzenecarboximidamide

N-(3,5-dimethylphenyl)-N'-hydroxy-3-nitrobenzenecarboximidamide

CAS: 478080-64-7

Formula: C15H15N3O3

SMILES: CC1=CC(NC(=NO)C2=CC=CC(=C2)[N+]([O-])=O)=CC(C)=C1

IUPAC: N-(3,5-dimethylphenyl)-N'-hydroxy-3-nitrobenzene-1-carboximidamide

InChI: InChI=1S/C15H15N3O3/c1-10-6-11(2)8-13(7-10)16-15(17-19)12-4-3-5-14(9-12)18(20)21/h3-9,19H,1-2H3,(H,16,17)

Composition: C (63.15%), H (5.30%), N (14.73%), O (16.82%)

Molar Mass: 285.303

Atom Count: 36

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 285.111341355
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey NKPUVZWTGDOJTD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.82
Topological Polar Surface Area 87.76
Polarizability 29.7
Ring Count 2
Rotatable Bond Count 3

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