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4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)-1H-indole

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)-1H-indole

CAS: 955978-82-2

Formula: C15H17BF3NO2

SMILES: CC1(C)OB(OC1(C)C)C1=C2C=CNC2=CC(=C1)C(F)(F)F

IUPAC: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)-1H-indole

InChI: InChI=1S/C15H17BF3NO2/c1-13(2)14(3,4)22-16(21-13)11-7-9(15(17,18)19)8-12-10(11)5-6-20-12/h5-8,20H,1-4H3

Composition: C (57.91%), H (5.51%), B (3.47%), F (18.32%), N (4.50%), O (10.29%)

Molar Mass: 311.11

Atom Count: 39

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 311.130443
Formal Charge 0
FSP3 0.47
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey MMDAPXPYKCPQRN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.77
Topological Polar Surface Area 34.25
Polarizability 30.17
Ring Count 3
Rotatable Bond Count 2

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