2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole

2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole

CAS: 1025719-20-3

Formula: C14H18BNO3

SMILES: CC1=NC2=CC=CC(B3OC(C)(C)C(C)(C)O3)=C2O1

IUPAC: 2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole

InChI: InChI=1S/C14H18BNO3/c1-9-16-11-8-6-7-10(12(11)17-9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3

Composition: C (64.90%), H (7.00%), B (4.17%), N (5.41%), O (18.52%)

Molar Mass: 259.11

Atom Count: 37

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	259.137973
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ZXAPMRKCTBADND-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.82
Topological Polar Surface Area	44.49
Polarizability	29.27
Ring Count	3
Rotatable Bond Count	1

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