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

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

Formula: C13H15BF3NO5

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

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

InChI: InChI=1S/C13H15BF3NO5/c1-11(2)12(3,4)23-14(22-11)9-7-8(18(19)20)5-6-10(9)21-13(15,16)17/h5-7H,1-4H3

Composition: C (46.88%), H (4.54%), B (3.25%), F (17.11%), N (4.21%), O (24.02%)

Molar Mass: 333.07

Atom Count: 38

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	333.099537
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	AHVZFHUMSLMKBP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	65.1
Topological Polar Surface Area	70.83
Polarizability	27.9
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C13H15BF3NO5		Quote Only