4-(2,6-dibromo-4-{[(5Z)-2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene]methyl}phenoxymethyl)benzoic acid

4-(2,6-dibromo-4-{[(5Z)-2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene]methyl}phenoxymethyl)benzoic acid

Formula: C25H16Br2N2O6

SMILES: OC(=O)C1=CC=C(COC2=C(Br)C=C(C=C3C(=O)NC(=O)N(C3=O)C3=CC=CC=C3)C=C2Br)C=C1

IUPAC: 4-[(2,6-dibromo-4-{[(5Z)-2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid

InChI: InChI=1S/C25H16Br2N2O6/c26-19-11-15(12-20(27)21(19)35-13-14-6-8-16(9-7-14)24(32)33)10-18-22(30)28-25(34)29(23(18)31)17-4-2-1-3-5-17/h1-12H,13H2,(H,32,33)(H,28,30,34)/b18-10-

Composition: C (50.03%), H (2.69%), Br (26.62%), N (4.67%), O (15.99%)

Molar Mass: 600.219

Atom Count: 51

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	597.937512
Formal Charge	0
FSP3	0.04
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	AMMMFZAQLYVBSC-ZDLGFXPLSA-N
Lipinski's Rule of Five
Molar Refractivity	134.37
Topological Polar Surface Area	113.01
Polarizability	50.87
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H16Br2N2O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00