4-[(1E)-2-cyano-2-[(2,5-dichlorophenyl)carbamoyl]eth-1-en-1-yl]phenyl 4-bromobenzoate

4-[(1E)-2-cyano-2-[(2,5-dichlorophenyl)carbamoyl]eth-1-en-1-yl]phenyl 4-bromobenzoate

Formula: C23H13BrCl2N2O3

SMILES: ClC1=CC=C(Cl)C(NC(=O)C(=CC2=CC=C(OC(=O)C3=CC=C(Br)C=C3)C=C2)C#N)=C1

IUPAC: 4-[(1E)-2-cyano-2-[(2,5-dichlorophenyl)carbamoyl]eth-1-en-1-yl]phenyl 4-bromobenzoate

InChI: InChI=1S/C23H13BrCl2N2O3/c24-17-5-3-15(4-6-17)23(30)31-19-8-1-14(2-9-19)11-16(13-27)22(29)28-21-12-18(25)7-10-20(21)26/h1-12H,(H,28,29)/b16-11+

Composition: C (53.52%), H (2.54%), Br (15.48%), Cl (13.74%), N (5.43%), O (9.30%)

Molar Mass: 516.17

Atom Count: 44

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	513.948661
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LWVGQPZTCYUHEZ-LFIBNONCSA-N
Lipinski's Rule of Five
Molar Refractivity	125.43
Topological Polar Surface Area	79.19
Polarizability	46.82
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H13BrCl2N2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00