2-(2,4-dinitrophenyl)cyclohexan-1-one

2-(2,4-dinitrophenyl)cyclohexan-1-one

CAS: 21442-55-7

Formula: C12H12N2O5

SMILES: [O-][N+](=O)C1=CC(=C(C=C1)C1CCCCC1=O)[N+]([O-])=O

IUPAC: 2-(2,4-dinitrophenyl)cyclohexan-1-one

InChI: InChI=1/C12H12N2O5/c15-12-4-2-1-3-10(12)9-6-5-8(13(16)17)7-11(9)14(18)19/h5-7,10H,1-4H2

Composition: C (54.55%), H (4.58%), N (10.60%), O (30.27%)

Molar Mass: 264.237

Atom Count: 31

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	264.074621494
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	ROTZVJSALNNSKR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.56
Topological Polar Surface Area	103.35
Polarizability	24.57
Ring Count	2
Rotatable Bond Count	3

Suppliers

Key Organics Ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	21442-55-7		$51.35-$359.43$51.35$63.37$75.38$86.31$120.18$359.43