2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenyl 4-chloro-3-nitrobenzoate

2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenyl 4-chloro-3-nitrobenzoate

Formula: C19H16Cl2N2O6S

SMILES: COC1=CC(=CC(Cl)=C1OC(=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O)C(=S)N1CCOCC1

IUPAC: 2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenyl 4-chloro-3-nitrobenzoate

InChI: InChI=1S/C19H16Cl2N2O6S/c1-27-16-10-12(18(30)22-4-6-28-7-5-22)8-14(21)17(16)29-19(24)11-2-3-13(20)15(9-11)23(25)26/h2-3,8-10H,4-7H2,1H3

Composition: C (48.42%), H (3.42%), Cl (15.04%), N (5.94%), O (20.37%), S (6.80%)

Molar Mass: 471.31

Atom Count: 46

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	470.0106128
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	BKBYPJXKHFQKDR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.19
Topological Polar Surface Area	91.14
Polarizability	44.35
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H16Cl2N2O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00