3,5-bis({[(4-chlorophenyl)methoxy]imino}methyl)-1-(4-nitrophenyl)piperidin-4-one

3,5-bis({[(4-chlorophenyl)methoxy]imino}methyl)-1-(4-nitrophenyl)piperidin-4-one

CAS: 338791-52-9

Formula: C27H24Cl2N4O5

SMILES: [O-][N+](=O)C1=CC=C(C=C1)N1CC(C=NOCC2=CC=C(Cl)C=C2)C(=O)C(C1)C=NOCC1=CC=C(Cl)C=C1

IUPAC: 3,5-bis({[(4-chlorophenyl)methoxy]imino}methyl)-1-(4-nitrophenyl)piperidin-4-one

InChI: InChI=1/C27H24Cl2N4O5/c28-23-5-1-19(2-6-23)17-37-30-13-21-15-32(25-9-11-26(12-10-25)33(35)36)16-22(27(21)34)14-31-38-18-20-3-7-24(29)8-4-20/h1-14,21-22H,15-18H2

Composition: C (58.39%), H (4.36%), Cl (12.77%), N (10.09%), O (14.40%)

Molar Mass: 555.41

Atom Count: 62

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	554.1123753
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
InChIKey	XQFUTZSIYAKFMJ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	145.46
Topological Polar Surface Area	106.63
Polarizability	55.07
Ring Count	4
Rotatable Bond Count	10

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	338791-52-9		$51.35-$86.31$51.35$63.37$86.31