4-{4-bromo-2-[(Z)-[(2-cyanoacetamido)imino]methyl]phenoxymethyl}benzoic acid

4-{4-bromo-2-[(Z)-[(2-cyanoacetamido)imino]methyl]phenoxymethyl}benzoic acid

Formula: C18H14BrN3O4

SMILES: OC(=O)C1=CC=C(COC2=CC=C(Br)C=C2C=N/NC(=O)CC#N)C=C1

IUPAC: 4-({4-bromo-2-[(Z)-[(2-cyanoacetamido)imino]methyl]phenoxy}methyl)benzoic acid

InChI: InChI=1S/C18H14BrN3O4/c19-15-5-6-16(14(9-15)10-21-22-17(23)7-8-20)26-11-12-1-3-13(4-2-12)18(24)25/h1-6,9-10H,7,11H2,(H,22,23)(H,24,25)/b21-10-

Composition: C (51.94%), H (3.39%), Br (19.20%), N (10.10%), O (15.38%)

Molar Mass: 416.231

Atom Count: 40

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	415.016769
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	LCFCUZDAMUFLLA-FBHDLOMBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.84
Topological Polar Surface Area	111.78
Polarizability	36.81
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H14BrN3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00