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1,2-difluoro-3-(trifluoromethoxy)benzene

1,2-difluoro-3-(trifluoromethoxy)benzene

CAS: 158178-35-9

Formula: C7H3F5O

SMILES: FC1=CC=CC(OC(F)(F)F)=C1F

IUPAC: 1,2-difluoro-3-(trifluoromethoxy)benzene

InChI: InChI=1S/C7H3F5O/c8-4-2-1-3-5(6(4)9)13-7(10,11)12/h1-3H

Composition: C (42.44%), H (1.53%), F (47.95%), O (8.08%)

Molar Mass: 198.092

Atom Count: 16

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 198.010405532
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey IEWSBWIUOSSOJG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 29.56
Topological Polar Surface Area 9.23
Polarizability 12.21
Ring Count 1
Rotatable Bond Count 2

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