phenyl 4-nitrobenzoate

phenyl 4-nitrobenzoate

Formula: C13H9NO4

SMILES: [O-][N+](=O)C1=CC=C(C=C1)C(=O)OC1=CC=CC=C1

IUPAC: phenyl 4-nitrobenzoate

InChI: InChI=1S/C13H9NO4/c15-13(18-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(16)17/h1-9H

Composition: C (64.20%), H (3.73%), N (5.76%), O (26.31%)

Molar Mass: 243.218

Atom Count: 27

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	243.053157774
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LUSSRKMAXZEBEC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.18
Topological Polar Surface Area	69.44
Polarizability	24.36
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H9NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00