4-{5-[(1Z)-2-[(4-chlorophenyl)carbamoyl]-2-cyanoeth-1-en-1-yl]furan-2-yl}benzoic acid

4-{5-[(1Z)-2-[(4-chlorophenyl)carbamoyl]-2-cyanoeth-1-en-1-yl]furan-2-yl}benzoic acid

Formula: C21H13ClN2O4

SMILES: OC(=O)C1=CC=C(C=C1)C1=CC=C(O1)C=C(C#N)C(=O)NC1=CC=C(Cl)C=C1

IUPAC: 4-{5-[(1Z)-2-[(4-chlorophenyl)carbamoyl]-2-cyanoeth-1-en-1-yl]furan-2-yl}benzoic acid

InChI: InChI=1S/C21H13ClN2O4/c22-16-5-7-17(8-6-16)24-20(25)15(12-23)11-18-9-10-19(28-18)13-1-3-14(4-2-13)21(26)27/h1-11H,(H,24,25)(H,26,27)/b15-11-

Composition: C (64.21%), H (3.34%), Cl (9.03%), N (7.13%), O (16.29%)

Molar Mass: 392.8

Atom Count: 41

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	392.0563846
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	RYFQWQOCVLBIIF-PTNGSMBKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.86
Topological Polar Surface Area	103.33
Polarizability	40.1
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H13ClN2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00