1-(2,6-dichloro-3-nitrophenyl)ethanone

1-(2,6-dichloro-3-nitrophenyl)ethanone

CAS: 223785-76-0

Formula: C8H5Cl2NO3

SMILES: CC(=O)C1=C(Cl)C=CC(=C1Cl)[N+]([O-])=O

IUPAC: 1-(2,6-dichloro-3-nitrophenyl)ethan-1-one

InChI: InChI=1S/C8H5Cl2NO3/c1-4(12)7-5(9)2-3-6(8(7)10)11(13)14/h2-3H,1H3

Composition: C (41.06%), H (2.15%), Cl (30.30%), N (5.99%), O (20.51%)

Molar Mass: 234.03

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	232.9646484
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	NAMVLFOWONWZFY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.39
Topological Polar Surface Area	60.21
Polarizability	19.94
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	223785-76-0		$59.84-$1,074.32$59.84$161.76$1,074.32