4-bromo-2-[(E)-{[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-methoxyphenol

4-bromo-2-[(E)-{[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-methoxyphenol

Formula: C21H13BrClIN2O3

SMILES: COC1=CC(Br)=CC(C=NC2=CC=C3OC(=NC3=C2)C2=CC(I)=CC=C2Cl)=C1O

IUPAC: 4-bromo-2-[(E)-{[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-methoxyphenol

InChI: InChI=1S/C21H13BrClIN2O3/c1-28-19-7-12(22)6-11(20(19)27)10-25-14-3-5-18-17(9-14)26-21(29-18)15-8-13(24)2-4-16(15)23/h2-10,27H,1H3/b25-10+

Composition: C (43.22%), H (2.25%), Br (13.69%), Cl (6.07%), I (21.74%), N (4.80%), O (8.22%)

Molar Mass: 583.6

Atom Count: 42

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	581.88428
Formal Charge	0
FSP3	0.05
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LQNYEQKPDBTKAY-KIBLKLHPSA-N
Lipinski's Rule of Five
Molar Refractivity	137.39
Topological Polar Surface Area	67.85
Polarizability	49.17
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H13BrClIN2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00