4-bromo-2-[(E)-[(2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}ethyl)imino]methyl]phenol

4-bromo-2-[(E)-[(2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}ethyl)imino]methyl]phenol

Formula: C16H13BrF3N3O3

SMILES: OC1=CC=C(Br)C=C1C=NCCNC1=CC=C(C=C1[N+]([O-])=O)C(F)(F)F

IUPAC: 4-bromo-2-[(E)-[(2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}ethyl)imino]methyl]phenol

InChI: InChI=1S/C16H13BrF3N3O3/c17-12-2-4-15(24)10(7-12)9-21-5-6-22-13-3-1-11(16(18,19)20)8-14(13)23(25)26/h1-4,7-9,22,24H,5-6H2/b21-9+

Composition: C (44.46%), H (3.03%), Br (18.49%), F (13.19%), N (9.72%), O (11.11%)

Molar Mass: 432.197

Atom Count: 39

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	431.009239
Formal Charge	0
FSP3	0.19
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	NQSFTXJWSWCHJR-ZVBGSRNCSA-N
Lipinski's Rule of Five
Molar Refractivity	95.78
Topological Polar Surface Area	87.76
Polarizability	34.01
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H13BrF3N3O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00