1-(3-methoxy-4-nitrophenyl)ethanone

1-(3-methoxy-4-nitrophenyl)ethanone

CAS: 22106-39-4

Formula: C9H9NO4

SMILES: COC1=CC(=CC=C1[N+]([O-])=O)C(C)=O

IUPAC: 1-(3-methoxy-4-nitrophenyl)ethan-1-one

InChI: InChI=1S/C9H9NO4/c1-6(11)7-3-4-8(10(12)13)9(5-7)14-2/h3-5H,1-2H3

Composition: C (55.39%), H (4.65%), N (7.18%), O (32.79%)

Molar Mass: 195.174

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	195.053157774
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	QGZZCBCLSMAVSE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.24
Topological Polar Surface Area	69.44
Polarizability	18.52
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97.75%	<7 Days	22106-39-4		$19.64-$224.40$19.64$24.31$74.80$145.86$224.40