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

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

CAS: 886762-23-8

Formula: C9H7F3O2

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

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

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