3-(5-bromo-2-methoxybenzoyl)-1-(4-fluoro-3-nitrophenyl)thiourea

3-(5-bromo-2-methoxybenzoyl)-1-(4-fluoro-3-nitrophenyl)thiourea

Formula: C15H11BrFN3O4S

SMILES: COC1=CC=C(Br)C=C1C(=O)NC(=S)NC1=CC=C(F)C(=C1)[N+]([O-])=O

IUPAC: 3-(5-bromo-2-methoxybenzoyl)-1-(4-fluoro-3-nitrophenyl)thiourea

InChI: InChI=1S/C15H11BrFN3O4S/c1-24-13-5-2-8(16)6-10(13)14(21)19-15(25)18-9-3-4-11(17)12(7-9)20(22)23/h2-7H,1H3,(H2,18,19,21,25)

Composition: C (42.07%), H (2.59%), Br (18.66%), F (4.44%), N (9.81%), O (14.94%), S (7.49%)

Molar Mass: 428.23

Atom Count: 36

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	426.963768
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	LEQOFENYKIKZDB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.45
Topological Polar Surface Area	93.5
Polarizability	36.23
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H11BrFN3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00