2-methyl-3-(trifluoromethyl)benzoic acid

2-methyl-3-(trifluoromethyl)benzoic acid

CAS: 62089-35-4

Formula: C9H7F3O2

SMILES: CC1=C(C=CC=C1C(O)=O)C(F)(F)F

IUPAC: 2-methyl-3-(trifluoromethyl)benzoic acid

InChI: InChI=1S/C9H7F3O2/c1-5-6(8(13)14)3-2-4-7(5)9(10,11)12/h2-4H,1H3,(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	SSCFPSMXIDAJDT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.33
Topological Polar Surface Area	37.3
Polarizability	15.74
Ring Count	1
Rotatable Bond Count	2

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