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1-chloro-2-(trifluoromethoxy)benzene

1-chloro-2-(trifluoromethoxy)benzene

CAS: 450-96-4

Formula: C7H4ClF3O

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

IUPAC: 1-chloro-2-(trifluoromethoxy)benzene

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

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 0
InChIKey NZRLCYJRHKUVCV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 33.93
Topological Polar Surface Area 9.23
Polarizability 14.3
Ring Count 1
Rotatable Bond Count 2

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