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2-[2-(4-methyl-2-nitrophenyl)diazen-1-yl]-3-oxo-N-phenylbutanamide

2-[2-(4-methyl-2-nitrophenyl)diazen-1-yl]-3-oxo-N-phenylbutanamide

CAS: 2512-29-0

Formula: C17H16N4O4

SMILES: CC(=O)C(N=NC1=C(C=C(C)C=C1)[N+]([O-])=O)C(=O)NC1=CC=CC=C1

IUPAC: 2-[2-(4-methyl-2-nitrophenyl)diazen-1-yl]-3-oxo-N-phenylbutanamide

InChI: InChI=1/C17H16N4O4/c1-11-8-9-14(15(10-11)21(24)25)19-20-16(12(2)22)17(23)18-13-6-4-3-5-7-13/h3-10,16H,1-2H3,(H,18,23)

Composition: C (60.00%), H (4.74%), N (16.46%), O (18.80%)

Molar Mass: 340.339

Atom Count: 41

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 340.117155011
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey MFYSUUPKMDJYPF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.84
Topological Polar Surface Area 114.03
Polarizability 33.91
Ring Count 2
Rotatable Bond Count 6

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