2-[(E)-{[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-ethoxy-4-nitrophenol

2-[(E)-{[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-ethoxy-4-nitrophenol

Formula: C22H16ClN3O5

SMILES: CCOC1=CC(=CC(C=NC2=CC=C3OC(=NC3=C2)C2=CC=C(Cl)C=C2)=C1O)[N+]([O-])=O

IUPAC: 2-[(E)-{[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-ethoxy-4-nitrophenol

InChI: InChI=1S/C22H16ClN3O5/c1-2-30-20-11-17(26(28)29)9-14(21(20)27)12-24-16-7-8-19-18(10-16)25-22(31-19)13-3-5-15(23)6-4-13/h3-12,27H,2H2,1H3/b24-12+

Composition: C (60.35%), H (3.68%), Cl (8.10%), N (9.60%), O (18.27%)

Molar Mass: 437.84

Atom Count: 47

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	437.0778483
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	HUMBGNKETYXDGH-WYMPLXKRSA-N
Lipinski's Rule of Five
Molar Refractivity	127.47
Topological Polar Surface Area	110.99
Polarizability	44.94
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H16ClN3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00