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[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid

[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid

CAS: 179946-32-8

Formula: C9H6F4O2

SMILES: OC(=O)CC1=C(C=CC=C1F)C(F)(F)F

IUPAC: 2-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid

InChI: InChI=1S/C9H6F4O2/c10-7-3-1-2-6(9(11,12)13)5(7)4-8(14)15/h1-3H,4H2,(H,14,15)

Composition: C (48.66%), H (2.72%), F (34.21%), O (14.40%)

Molar Mass: 222.139

Atom Count: 21

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 222.030392085
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ZVXIGDPHHXXMMF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.56
Topological Polar Surface Area 37.3
Polarizability 15.76
Ring Count 1
Rotatable Bond Count 3

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