2-[2-fluoro-5-nitro-3-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[2-fluoro-5-nitro-3-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS: 2096336-43-3

Formula: C13H14BF4NO4

SMILES: CC1(C)OB(OC1(C)C)C1=C(F)C(=CC(=C1)[N+]([O-])=O)C(F)(F)F

IUPAC: 2-[2-fluoro-5-nitro-3-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI: InChI=1S/C13H14BF4NO4/c1-11(2)12(3,4)23-14(22-11)9-6-7(19(20)21)5-8(10(9)15)13(16,17)18/h5-6H,1-4H3

Composition: C (46.60%), H (4.21%), B (3.23%), F (22.68%), N (4.18%), O (19.10%)

Molar Mass: 335.06

Atom Count: 37

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	335.095201
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	MAXOMANZLLMOOF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.22
Topological Polar Surface Area	61.6
Polarizability	26.98
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<5 Days	2096336-43-3		$99.62-$225.72$99.62$225.72