2-[(E)-(benzylimino)[5-(trifluoromethyl)-2H-1,2,3-triazol-4-yl]methyl]-4-methylphenol

2-[(E)-(benzylimino)[5-(trifluoromethyl)-2H-1,2,3-triazol-4-yl]methyl]-4-methylphenol

Formula: C18H15F3N4O

SMILES: CC1=CC(C(=N/CC2=CC=CC=C2)C2=NNN=C2C(F)(F)F)=C(O)C=C1

IUPAC: 2-[(E)-(benzylimino)[5-(trifluoromethyl)-2H-1,2,3-triazol-4-yl]methyl]-4-methylphenol

InChI: InChI=1S/C18H15F3N4O/c1-11-7-8-14(26)13(9-11)15(22-10-12-5-3-2-4-6-12)16-17(18(19,20)21)24-25-23-16/h2-9,26H,10H2,1H3,(H,23,24,25)/b22-15-

Composition: C (60.00%), H (4.20%), F (15.82%), N (15.55%), O (4.44%)

Molar Mass: 360.34

Atom Count: 41

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	360.119795608
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	WYTLHWFXMUROKI-PXLXIMEGSA-N
Lipinski's Rule of Five
Molar Refractivity	93.07
Topological Polar Surface Area	74.16
Polarizability	33.27
Ring Count	3
Rotatable Bond Count	5

Suppliers

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<14 Days	C18H15F3N4O		$476.28$476.28