3-[2-(4-chloro-2-methylphenoxy)acetohydrazido]-N-(4-chloro-3-nitrophenyl)but-2-enamide

3-[2-(4-chloro-2-methylphenoxy)acetohydrazido]-N-(4-chloro-3-nitrophenyl)but-2-enamide

Formula: C19H18Cl2N4O5

SMILES: CC(NNC(=O)COC1=CC=C(Cl)C=C1C)=CC(=O)NC1=CC=C(Cl)C(=C1)[N+]([O-])=O

IUPAC: 3-[2-(4-chloro-2-methylphenoxy)acetohydrazido]-N-(4-chloro-3-nitrophenyl)but-2-enamide

InChI: InChI=1S/C19H18Cl2N4O5/c1-11-7-13(20)3-6-17(11)30-10-19(27)24-23-12(2)8-18(26)22-14-4-5-15(21)16(9-14)25(28)29/h3-9,23H,10H2,1-2H3,(H,22,26)(H,24,27)

Composition: C (50.35%), H (4.00%), Cl (15.64%), N (12.36%), O (17.65%)

Molar Mass: 453.28

Atom Count: 48

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	452.0654251
Formal Charge	0
FSP3	0.16
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	SDPFSFCIYHGQFY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	125.32
Topological Polar Surface Area	122.6
Polarizability	42.51
Ring Count	2
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H18Cl2N4O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00