3-chloro-5-(trifluoromethyl)phenylboronic acid

3-chloro-5-(trifluoromethyl)phenylboronic acid

CAS: 1160561-31-8

Formula: C7H5BClF3O2

SMILES: OB(O)C1=CC(Cl)=CC(=C1)C(F)(F)F

IUPAC: [3-chloro-5-(trifluoromethyl)phenyl]boronic acid

InChI: InChI=1S/C7H5BClF3O2/c9-6-2-4(7(10,11)12)1-5(3-6)8(13)14/h1-3,13-14H

Composition: C (37.47%), H (2.25%), B (4.82%), Cl (15.80%), F (25.40%), O (14.26%)

Molar Mass: 224.37

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	224.002322
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	VRZOZHNVFRLIPB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.38
Topological Polar Surface Area	40.46
Polarizability	16.79
Ring Count	1
Rotatable Bond Count	2

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