2-(3-fluoro-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3-fluoro-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS: 939968-60-2

Formula: C12H15BFNO4

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

IUPAC: 2-(3-fluoro-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI: InChI=1S/C12H15BFNO4/c1-11(2)12(3,4)19-13(18-11)8-5-6-10(15(16)17)9(14)7-8/h5-7H,1-4H3

Composition: C (53.97%), H (5.66%), B (4.05%), F (7.11%), N (5.24%), O (23.96%)

Molar Mass: 267.06

Atom Count: 34

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	267.107816
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	MOKWUYKZXFBLKR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.25
Topological Polar Surface Area	61.6
Polarizability	25.61
Ring Count	2
Rotatable Bond Count	2

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