4-{4-[(1Z)-2-(4-bromophenyl)-2-cyanoeth-1-en-1-yl]-2-methoxyphenoxymethyl}benzoic acid

4-{4-[(1Z)-2-(4-bromophenyl)-2-cyanoeth-1-en-1-yl]-2-methoxyphenoxymethyl}benzoic acid

Formula: C24H18BrNO4

SMILES: COC1=CC(C=C(/C#N)C2=CC=C(Br)C=C2)=CC=C1OCC1=CC=C(C=C1)C(O)=O

IUPAC: 4-({4-[(1Z)-2-(4-bromophenyl)-2-cyanoeth-1-en-1-yl]-2-methoxyphenoxy}methyl)benzoic acid

InChI: InChI=1S/C24H18BrNO4/c1-29-23-13-17(12-20(14-26)18-7-9-21(25)10-8-18)4-11-22(23)30-15-16-2-5-19(6-3-16)24(27)28/h2-13H,15H2,1H3,(H,27,28)/b20-12+

Composition: C (62.08%), H (3.91%), Br (17.21%), N (3.02%), O (13.78%)

Molar Mass: 464.315

Atom Count: 48

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	463.041921
Formal Charge	0
FSP3	0.08
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	ZXDYXDZSICBQOA-UDWIEESQSA-N
Lipinski's Rule of Five
Molar Refractivity	118.91
Topological Polar Surface Area	79.55
Polarizability	44.71
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H18BrNO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00