3-[3-(3-nitrobenzamido)benzamido]benzoic acid

3-[3-(3-nitrobenzamido)benzamido]benzoic acid

Formula: C21H15N3O6

SMILES: OC(=O)C1=CC(NC(=O)C2=CC=CC(NC(=O)C3=CC=CC(=C3)[N+]([O-])=O)=C2)=CC=C1

IUPAC: 3-[3-(3-nitrobenzamido)benzamido]benzoic acid

InChI: InChI=1S/C21H15N3O6/c25-19(23-17-8-2-6-15(11-17)21(27)28)13-4-1-7-16(10-13)22-20(26)14-5-3-9-18(12-14)24(29)30/h1-12H,(H,22,26)(H,23,25)(H,27,28)

Composition: C (62.22%), H (3.73%), N (10.37%), O (23.68%)

Molar Mass: 405.366

Atom Count: 45

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	405.096085215
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	FYXVQXXQPFETKN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.7
Topological Polar Surface Area	138.64
Polarizability	39.8
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H15N3O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00