5-nitro-3-(trifluoromethyl)-1-benzofuran

5-nitro-3-(trifluoromethyl)-1-benzofuran

CAS: 1394319-44-8

Formula: C9H4F3NO3

SMILES: [O-][N+](=O)C1=CC=C2OC=C(C2=C1)C(F)(F)F

IUPAC: 5-nitro-3-(trifluoromethyl)-1-benzofuran

InChI: InChI=1S/C9H4F3NO3/c10-9(11,12)7-4-16-8-2-1-5(13(14)15)3-6(7)8/h1-4H

Composition: C (46.77%), H (1.74%), F (24.66%), N (6.06%), O (20.77%)

Molar Mass: 231.13

Atom Count: 20

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	231.014327482
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	PBHAMMPIQGIJKL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.19
Topological Polar Surface Area	56.28
Polarizability	17.89
Ring Count	2
Rotatable Bond Count	2

Suppliers

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	1394319-44-8		$1,122.66$1,122.66