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2-(3,5-dinitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3,5-dinitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Formula: C12H15BN2O6

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

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

InChI: InChI=1S/C12H15BN2O6/c1-11(2)12(3,4)21-13(20-11)8-5-9(14(16)17)7-10(6-8)15(18)19/h5-7H,1-4H3

Composition: C (49.01%), H (5.14%), B (3.68%), N (9.53%), O (32.64%)

Molar Mass: 294.07

Atom Count: 36

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 294.102316
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey SFFDLKOCTJMCCJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.35
Topological Polar Surface Area 104.74
Polarizability 27.84
Ring Count 2
Rotatable Bond Count 3

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97% <7 Days C12H15BN2O6 $202.90-$1,612.88$202.90$413.27$1,612.88
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