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5-nitro-N-phenyl-1-benzothiophene-2-carboxamide

5-nitro-N-phenyl-1-benzothiophene-2-carboxamide

CAS: 477847-42-0

Formula: C15H10N2O3S

SMILES: [O-][N+](=O)C1=CC=C2SC(=CC2=C1)C(=O)NC1=CC=CC=C1

IUPAC: 5-nitro-N-phenyl-1-benzothiophene-2-carboxamide

InChI: InChI=1S/C15H10N2O3S/c18-15(16-11-4-2-1-3-5-11)14-9-10-8-12(17(19)20)6-7-13(10)21-14/h1-9H,(H,16,18)

Composition: C (60.39%), H (3.38%), N (9.39%), O (16.09%), S (10.75%)

Molar Mass: 298.32

Atom Count: 31

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 298.041213364
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey VGJQBULWAVUUNC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.04
Topological Polar Surface Area 72.24
Polarizability 30.99
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 477847-42-0 $51.35-$524.40$51.35$63.37$86.31$524.40
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