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3-fluoro-4-(trifluoromethyl)benzoic acid

3-fluoro-4-(trifluoromethyl)benzoic acid

CAS: 115754-21-7

Formula: C8H4F4O2

SMILES: OC(=O)C1=CC=C(C(F)=C1)C(F)(F)F

IUPAC: 3-fluoro-4-(trifluoromethyl)benzoic acid

InChI: InChI=1S/C8H4F4O2/c9-6-3-4(7(13)14)1-2-5(6)8(10,11)12/h1-3H,(H,13,14)

Composition: C (46.17%), H (1.94%), F (36.52%), O (15.38%)

Molar Mass: 208.112

Atom Count: 18

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 208.014742021
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HRIHSNPFVGMAKX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.5
Topological Polar Surface Area 37.3
Polarizability 13.98
Ring Count 1
Rotatable Bond Count 2

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98% <7 Days 115754-21-7 $4.14-$112.82$4.14$9.32$15.53$35.19$112.82
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