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6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole

CAS: 1810038-58-4

Formula: C13H16BNO3

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C2N=COC2=C1

IUPAC: 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole

InChI: InChI=1S/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)9-5-6-10-11(7-9)16-8-15-10/h5-8H,1-4H3

Composition: C (63.71%), H (6.58%), B (4.41%), N (5.72%), O (19.58%)

Molar Mass: 245.09

Atom Count: 34

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 245.122323
Formal Charge 0
FSP3 0.46
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey GFKZCRRRPMENIV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.38
Topological Polar Surface Area 44.49
Polarizability 27.5
Ring Count 3
Rotatable Bond Count 1

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