4-chloro-3-{5-[(E)-{[(4-nitrophenyl)formamido]imino}methyl]furan-2-yl}benzoic acid

4-chloro-3-{5-[(E)-{[(4-nitrophenyl)formamido]imino}methyl]furan-2-yl}benzoic acid

Formula: C19H12ClN3O6

SMILES: OC(=O)C1=CC=C(Cl)C(=C1)C1=CC=C(O1)C=NNC(=O)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 4-chloro-3-{5-[(E)-{[(4-nitrophenyl)formamido]imino}methyl]furan-2-yl}benzoic acid

InChI: InChI=1S/C19H12ClN3O6/c20-16-7-3-12(19(25)26)9-15(16)17-8-6-14(29-17)10-21-22-18(24)11-1-4-13(5-2-11)23(27)28/h1-10H,(H,22,24)(H,25,26)/b21-10+

Composition: C (55.15%), H (2.92%), Cl (8.57%), N (10.16%), O (23.20%)

Molar Mass: 413.77

Atom Count: 41

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	413.0414628
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	XVYDBXZMEUERKP-UFFVCSGVSA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.02
Topological Polar Surface Area	135.04
Polarizability	39.31
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H12ClN3O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00