2-chloro-5-(trifluoromethyl)phenol

2-chloro-5-(trifluoromethyl)phenol

CAS: 40889-91-6

Formula: C7H4ClF3O

SMILES: OC1=CC(=CC=C1Cl)C(F)(F)F

IUPAC: 2-chloro-5-(trifluoromethyl)phenol

InChI: InChI=1S/C7H4ClF3O/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3,12H

Composition: C (42.78%), H (2.05%), Cl (18.04%), F (29.00%), O (8.14%)

Molar Mass: 196.55

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	195.9902769
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	SUIZARUATMVYRT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.82
Topological Polar Surface Area	20.23
Polarizability	14.22
Ring Count	1
Rotatable Bond Count	1

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