2-(4-nitrophenyl)-2-oxoethyl acetate

2-(4-nitrophenyl)-2-oxoethyl acetate

CAS: 65921-30-4

Formula: C10H9NO5

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

IUPAC: 2-(4-nitrophenyl)-2-oxoethyl acetate

InChI: InChI=1S/C10H9NO5/c1-7(12)16-6-10(13)8-2-4-9(5-3-8)11(14)15/h2-5H,6H2,1H3

Composition: C (53.82%), H (4.06%), N (6.28%), O (35.84%)

Molar Mass: 223.184

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	223.048072394
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	SROHNFZTTHLMQF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.64
Topological Polar Surface Area	86.51
Polarizability	20.5
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	65921-30-4		$51.35-$359.43$51.35$63.37$75.38$86.31$120.18$359.43