3-{5-[(1E)-2-[(4-bromophenyl)carbamoyl]-2-cyanoeth-1-en-1-yl]furan-2-yl}-2-methylbenzoic acid

3-{5-[(1E)-2-[(4-bromophenyl)carbamoyl]-2-cyanoeth-1-en-1-yl]furan-2-yl}-2-methylbenzoic acid

Formula: C22H15BrN2O4

SMILES: CC1=C(C=CC=C1C1=CC=C(O1)C=C(/C#N)C(=O)NC1=CC=C(Br)C=C1)C(O)=O

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

InChI: InChI=1S/C22H15BrN2O4/c1-13-18(3-2-4-19(13)22(27)28)20-10-9-17(29-20)11-14(12-24)21(26)25-16-7-5-15(23)6-8-16/h2-11H,1H3,(H,25,26)(H,27,28)/b14-11+

Composition: C (58.55%), H (3.35%), Br (17.71%), N (6.21%), O (14.18%)

Molar Mass: 451.276

Atom Count: 44

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	450.02152
Formal Charge	0
FSP3	0.05
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	VRRSGJQZLXRSOJ-SDNWHVSQSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.72
Topological Polar Surface Area	103.33
Polarizability	42.74
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H15BrN2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00