4-methyl-2-(trifluoromethyl)phenylboronic acid

4-methyl-2-(trifluoromethyl)phenylboronic acid

CAS: 1021860-94-5

Formula: C8H8BF3O2

SMILES: CC1=CC=C(B(O)O)C(=C1)C(F)(F)F

IUPAC: [4-methyl-2-(trifluoromethyl)phenyl]boronic acid

InChI: InChI=1S/C8H8BF3O2/c1-5-2-3-7(9(13)14)6(4-5)8(10,11)12/h2-4,13-14H,1H3

Composition: C (47.11%), H (3.95%), B (5.30%), F (27.94%), O (15.69%)

Molar Mass: 203.96

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	204.056944
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	KDOJXIIVCMNOSQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.62
Topological Polar Surface Area	40.46
Polarizability	16.51
Ring Count	1
Rotatable Bond Count	2

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