5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,2,3-benzotriazole

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,2,3-benzotriazole

CAS: 1257651-13-0

Formula: C12H16BN3O2

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C2NN=NC2=C1

IUPAC: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,2,3-benzotriazole

InChI: InChI=1S/C12H16BN3O2/c1-11(2)12(3,4)18-13(17-11)8-5-6-9-10(7-8)15-16-14-9/h5-7H,1-4H3,(H,14,15,16)

Composition: C (58.81%), H (6.58%), B (4.41%), N (17.15%), O (13.06%)

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	245.133557
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	QUYDCPHDUNQFKF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.71
Topological Polar Surface Area	60.03
Polarizability	27.45
Ring Count	3
Rotatable Bond Count	1

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