2-bromo-3-(trifluoromethoxy)phenylboronic acid

2-bromo-3-(trifluoromethoxy)phenylboronic acid

CAS: 1309980-96-8

Formula: C7H5BBrF3O3

SMILES: OB(O)C1=C(Br)C(OC(F)(F)F)=CC=C1

IUPAC: [2-bromo-3-(trifluoromethoxy)phenyl]boronic acid

InChI: InChI=1S/C7H5BBrF3O3/c9-6-4(8(13)14)2-1-3-5(6)15-7(10,11)12/h1-3,13-14H

Composition: C (29.52%), H (1.77%), B (3.80%), Br (28.05%), F (20.01%), O (16.85%)

Molar Mass: 284.82

Atom Count: 20

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	283.946722
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	RIXLLVIGWOPVSW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.3
Topological Polar Surface Area	49.69
Polarizability	18.78
Ring Count	1
Rotatable Bond Count	3

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