5-(trifluoromethyl)-3H-2,1-benzoxaborol-1-ol

5-(trifluoromethyl)-3H-2,1-benzoxaborol-1-ol

CAS: 174671-50-2

Formula: C8H6BF3O2

SMILES: OB1OCC2=CC(=CC=C12)C(F)(F)F

IUPAC: 5-(trifluoromethyl)-1,3-dihydro-2,1-benzoxaborol-1-ol

InChI: InChI=1S/C8H6BF3O2/c10-8(11,12)6-1-2-7-5(3-6)4-14-9(7)13/h1-3,13H,4H2

Composition: C (47.58%), H (2.99%), B (5.35%), F (28.22%), O (15.85%)

Molar Mass: 201.94

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	202.041294
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	BHYLHIVBNMYEPX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.61
Topological Polar Surface Area	29.46
Polarizability	15.95
Ring Count	2
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	174671-50-2		$199.16-$1,629.71$199.16$460.02$1,629.71