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2,4,5-trifluoro-3,6-dimethylbenzoic acid

2,4,5-trifluoro-3,6-dimethylbenzoic acid

CAS: 132630-87-6

Formula: C9H7F3O2

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

IUPAC: 2,4,5-trifluoro-3,6-dimethylbenzoic acid

InChI: InChI=1S/C9H7F3O2/c1-3-5(9(13)14)6(10)4(2)8(12)7(3)11/h1-2H3,(H,13,14)

Composition: C (52.95%), H (3.46%), F (27.92%), O (15.67%)

Molar Mass: 204.148

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 204.039813954
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ZWRWRGOJQGCKGR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.05
Topological Polar Surface Area 37.3
Polarizability 15.6
Ring Count 1
Rotatable Bond Count 1

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97% <2 Days 132630-87-6 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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