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2-[methyl(4-nitrophenyl)amino]acetonitrile

2-[methyl(4-nitrophenyl)amino]acetonitrile

CAS: 107023-66-5

Formula: C9H9N3O2

SMILES: CN(CC#N)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 2-[methyl(4-nitrophenyl)amino]acetonitrile

InChI: InChI=1S/C9H9N3O2/c1-11(7-6-10)8-2-4-9(5-3-8)12(13)14/h2-5H,7H2,1H3

Composition: C (56.54%), H (4.75%), N (21.98%), O (16.74%)

Molar Mass: 191.19

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 191.069476542
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey DJOYTAUERRJRAT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.87
Topological Polar Surface Area 70.17
Polarizability 18.73
Ring Count 1
Rotatable Bond Count 3

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