2-[(2E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamido]benzoic acid

2-[(2E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamido]benzoic acid

Formula: C21H13ClN2O4

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

IUPAC: 2-[(2E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamido]benzoic acid

InChI: InChI=1S/C21H13ClN2O4/c22-15-5-3-4-13(10-15)19-9-8-16(28-19)11-14(12-23)20(25)24-18-7-2-1-6-17(18)21(26)27/h1-11H,(H,24,25)(H,26,27)/b14-11+

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	UQCSKPRGKRCDDH-SDNWHVSQSA-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