1H-1,2,3-benzotriazol-5-ylboronic acid

1H-1,2,3-benzotriazol-5-ylboronic acid

CAS: 183282-45-3

Formula: C6H6BN3O2

SMILES: OB(O)C1=CC=C2NN=NC2=C1

IUPAC: (1H-1,2,3-benzotriazol-5-yl)boronic acid

InChI: InChI=1S/C6H6BN3O2/c11-7(12)4-1-2-5-6(3-4)9-10-8-5/h1-3,11-12H,(H,8,9,10)

Composition: C (44.23%), H (3.71%), B (6.63%), N (25.79%), O (19.64%)

Molar Mass: 162.94

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	163.055306
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	FXWWSHVAIPUGQM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.6
Topological Polar Surface Area	82.03
Polarizability	16.98
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	183282-45-3		$401.35-$2,297.70$401.35$687.70$2,297.70