2-methyl-5-(trifluoromethyl)benzoic acid

2-methyl-5-(trifluoromethyl)benzoic acid

CAS: 13055-63-5

Formula: C9H7F3O2

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

IUPAC: 2-methyl-5-(trifluoromethyl)benzoic acid

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

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	13055-63-5		$6.21-$204.93$6.21$12.42$50.72$86.94$204.93

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<6 Days	13055-63-5		$8.05-$242.65$8.05$21.85$49.45$97.75$242.65

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	13055-63-5		$498.00$498.00

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	13055-63-5		$94.50-$141.75$94.50$141.75