4-chloro-2-(trifluoromethyl)benzoic acid

4-chloro-2-(trifluoromethyl)benzoic acid

CAS: 142994-09-0

Formula: C8H4ClF3O2

SMILES: OC(=O)C1=CC=C(Cl)C=C1C(F)(F)F

IUPAC: 4-chloro-2-(trifluoromethyl)benzoic acid

InChI: InChI=1S/C8H4ClF3O2/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12/h1-3H,(H,13,14)

Composition: C (42.79%), H (1.80%), Cl (15.79%), F (25.38%), O (14.25%)

Molar Mass: 224.56

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	223.9851916
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	RKZXXMAQKMOZLK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.09
Topological Polar Surface Area	37.3
Polarizability	16.05
Ring Count	1
Rotatable Bond Count	2

Suppliers

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<6 Days	142994-09-0		$5.75-$364.55$5.75$8.05$33.35$57.50$121.90$364.55

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	142994-09-0		$6.21-$257.72$6.21$8.28$30.02$52.79$102.47$257.72

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	142994-09-0		$554.00$554.00

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	142994-09-0		$94.50-$354.38$94.50$354.38