1,4-bis(benzyloxy)-2-nitrobenzene

1,4-bis(benzyloxy)-2-nitrobenzene

CAS: 51792-85-9

Formula: C20H17NO4

SMILES: [O-][N+](=O)C1=CC(OCC2=CC=CC=C2)=CC=C1OCC1=CC=CC=C1

IUPAC: 1,4-bis(benzyloxy)-2-nitrobenzene

InChI: InChI=1S/C20H17NO4/c22-21(23)19-13-18(24-14-16-7-3-1-4-8-16)11-12-20(19)25-15-17-9-5-2-6-10-17/h1-13H,14-15H2

Composition: C (71.63%), H (5.11%), N (4.18%), O (19.08%)

Molar Mass: 335.359

Atom Count: 42

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	335.115758031
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	QDZFMSSFDIBXED-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	94.53
Topological Polar Surface Area	61.6
Polarizability	36.4
Ring Count	3
Rotatable Bond Count	7

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	51792-85-9		$31.53-$150.06$31.53$94.58$150.06