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4-chloro-3-(trifluoromethyl)phenol

4-chloro-3-(trifluoromethyl)phenol

CAS: 6294-93-5

Formula: C7H4ClF3O

SMILES: OC1=CC(=C(Cl)C=C1)C(F)(F)F

IUPAC: 4-chloro-3-(trifluoromethyl)phenol

InChI: InChI=1S/C7H4ClF3O/c8-6-2-1-4(12)3-5(6)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 ZLFPIEUWXNRPNM-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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