3-(3-bromo-4-ethoxybenzoyl)-1-(4-chloro-3-nitrophenyl)thiourea

3-(3-bromo-4-ethoxybenzoyl)-1-(4-chloro-3-nitrophenyl)thiourea

Formula: C16H13BrClN3O4S

SMILES: CCOC1=CC=C(C=C1Br)C(=O)NC(=S)NC1=CC=C(Cl)C(=C1)[N+]([O-])=O

IUPAC: 3-(3-bromo-4-ethoxybenzoyl)-1-(4-chloro-3-nitrophenyl)thiourea

InChI: InChI=1S/C16H13BrClN3O4S/c1-2-25-14-6-3-9(7-11(14)17)15(22)20-16(26)19-10-4-5-12(18)13(8-10)21(23)24/h3-8H,2H2,1H3,(H2,19,20,22,26)

Composition: C (41.89%), H (2.86%), Br (17.42%), Cl (7.73%), N (9.16%), O (13.95%), S (6.99%)

Molar Mass: 458.71

Atom Count: 39

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	456.949868
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	HPPCYHIFPQNBOM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	107.78
Topological Polar Surface Area	93.5
Polarizability	40.23
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H13BrClN3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00