4-nitro-2-[5-(trifluoromethyl)-2H-1,2,3-triazole-4-carbonyl]phenol

4-nitro-2-[5-(trifluoromethyl)-2H-1,2,3-triazole-4-carbonyl]phenol

Formula: C10H5F3N4O4

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

IUPAC: 4-nitro-2-[5-(trifluoromethyl)-2H-1,2,3-triazole-4-carbonyl]phenol

InChI: InChI=1S/C10H5F3N4O4/c11-10(12,13)9-7(14-16-15-9)8(19)5-3-4(17(20)21)1-2-6(5)18/h1-3,18H,(H,14,15,16)

Composition: C (39.75%), H (1.67%), F (18.86%), N (18.54%), O (21.18%)

Molar Mass: 302.169

Atom Count: 26

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	302.026289146
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	YGLRYZMWLTTYMO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.78
Topological Polar Surface Area	122.01
Polarizability	22.08
Ring Count	2
Rotatable Bond Count	4

Suppliers

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
97%	<14 Days	C10H5F3N4O4		$436.59$436.59