2-(benzyloxy)-5-nitrobenzoic acid

2-(benzyloxy)-5-nitrobenzoic acid

CAS: 874523-84-9

Formula: C14H11NO5

SMILES: OC(=O)C1=C(OCC2=CC=CC=C2)C=CC(=C1)[N+]([O-])=O

IUPAC: 2-(benzyloxy)-5-nitrobenzoic acid

InChI: InChI=1S/C14H11NO5/c16-14(17)12-8-11(15(18)19)6-7-13(12)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)

Composition: C (61.54%), H (4.06%), N (5.13%), O (29.28%)

Molar Mass: 273.244

Atom Count: 31

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	273.063722458
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	TWTZZVAECIFSEO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.71
Topological Polar Surface Area	89.67
Polarizability	26.68
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	874523-84-9		$51.35-$225.06$51.35$63.37$86.31$143.12$225.06