1-(3-nitropyridin-4-yl)ethanone

1-(3-nitropyridin-4-yl)ethanone

CAS: 161871-65-4

Formula: C7H6N2O3

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

IUPAC: 1-(3-nitropyridin-4-yl)ethan-1-one

InChI: InChI=1S/C7H6N2O3/c1-5(10)6-2-3-8-4-7(6)9(11)12/h2-4H,1H3

Composition: C (50.61%), H (3.64%), N (16.86%), O (28.89%)

Molar Mass: 166.136

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	166.037842061
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	WJBPEUKZXRFJDM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.62
Topological Polar Surface Area	73.1
Polarizability	15.13
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	161871-65-4		$71.06-$232.82$71.06$76.67$104.72$232.82