4-{5-[(1E)-2-[(3-chloro-2-methylphenyl)carbamoyl]-2-cyanoeth-1-en-1-yl]furan-2-yl}benzoic acid

4-{5-[(1E)-2-[(3-chloro-2-methylphenyl)carbamoyl]-2-cyanoeth-1-en-1-yl]furan-2-yl}benzoic acid

Formula: C22H15ClN2O4

SMILES: CC1=C(Cl)C=CC=C1NC(=O)C(=CC1=CC=C(O1)C1=CC=C(C=C1)C(O)=O)C#N

IUPAC: 4-{5-[(1E)-2-[(3-chloro-2-methylphenyl)carbamoyl]-2-cyanoeth-1-en-1-yl]furan-2-yl}benzoic acid

InChI: InChI=1S/C22H15ClN2O4/c1-13-18(23)3-2-4-19(13)25-21(26)16(12-24)11-17-9-10-20(29-17)14-5-7-15(8-6-14)22(27)28/h2-11H,1H3,(H,25,26)(H,27,28)/b16-11+

Composition: C (64.95%), H (3.72%), Cl (8.71%), N (6.89%), O (15.73%)

Molar Mass: 406.82

Atom Count: 44

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	406.0720347
Formal Charge	0
FSP3	0.05
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	KZUPGCQECURLFO-LFIBNONCSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.9
Topological Polar Surface Area	103.33
Polarizability	41.86
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H15ClN2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00