3-chloro-2-fluoro-5-(trifluoromethyl)phenol

3-chloro-2-fluoro-5-(trifluoromethyl)phenol

CAS: 261763-12-6

Formula: C7H3ClF4O

SMILES: OC1=CC(=CC(Cl)=C1F)C(F)(F)F

IUPAC: 3-chloro-2-fluoro-5-(trifluoromethyl)phenol

InChI: InChI=1S/C7H3ClF4O/c8-4-1-3(7(10,11)12)2-5(13)6(4)9/h1-2,13H

Composition: C (39.19%), H (1.41%), Cl (16.52%), F (35.42%), O (7.46%)

Molar Mass: 214.54

Atom Count: 16

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	213.9808551
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	OKLHLYVTNGBKCI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.03
Topological Polar Surface Area	20.23
Polarizability	14.19
Ring Count	1
Rotatable Bond Count	1

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