4-(thiophen-3-yl)-3-(trifluoromethyl)benzoic acid

4-(thiophen-3-yl)-3-(trifluoromethyl)benzoic acid

CAS: 2340293-28-7

Formula: C12H7F3O2S

SMILES: OC(=O)C1=CC=C(C2=CSC=C2)C(=C1)C(F)(F)F

IUPAC: 4-(thiophen-3-yl)-3-(trifluoromethyl)benzoic acid

InChI: InChI=1S/C12H7F3O2S/c13-12(14,15)10-5-7(11(16)17)1-2-9(10)8-3-4-18-6-8/h1-6H,(H,16,17)

Composition: C (52.94%), H (2.59%), F (20.94%), O (11.75%), S (11.78%)

Molar Mass: 272.24

Atom Count: 25

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	272.011885128
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CMMVEZZYOACBRY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.53
Topological Polar Surface Area	37.3
Polarizability	23.39
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	2340293-28-7		$157.63$157.63