AG0038UT

244126-64-5 | 5-(Trifluoromethyl)benzo[b]thiophene-2-carboxylic acid

AG0038UT

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CAS Number	244126-64-5
Catalog Number	AG0038UT(AGN-PC-0KL22J)
Chemical Name	5-(Trifluoromethyl)benzo[b]thiophene-2-carboxylic acid
IUPAC Name	5-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid
InChI	InChI=1S/C10H5F3O2S/c11-10(12,13)6-1-2-7-5(3-6)4-8(16-7)9(14)15/h1-4H,(H,14,15)
InChI Key	ROIKYRUNAMGSHG-UHFFFAOYSA-N
MDL Number	MFCD03012933
Molecular Formula	C10H5F3O2S
Molecular Weight	246.2057
SMILES	O=C(C1=CC2=CC(C(F)(F)F)=CC=C2S1)O
Synonyms	244126-64-5, 5-(Trifluoromethyl)benzo[b]thiophene-2-carboxylic acid, 5-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid, 5-(trifluoromethyl)-benzo[b]thiophene-2-carboxylic acid, 5-trifluoromethyl-benzo[b]thiophene-2-carboxylic acid, ROIKYRUNAMGSHG-UHFFFAOYSA-N, PubChem21999, AC1MD3MM, 5-(trifluoromethyl)benzothiophene-2-carboxylic Acid, SCHEMBL153428, CTK1A0363, DTXSID00382414, ZINC169303, ALBB-031435, KS-00001X0Q, BBL029839, MFCD03012933, SBB100112, STL252023, AKOS005070520, AC-9428, CT-1028, MCULE-8144325733, RP14039, RTR-011282, AJ-17119, TR-011282, FT-0680402, V4636, EN300-77978, K-6546, 4T-1506, A817291, AN-584/43484536, 5-trifluoromethylbenzo[b]thiophene-2-carboxylic acid, J-516446, I01-14800, Z1741960555, Benzo[b]thiophene-2-carboxylic acid, 5-(trifluoromethyl)-, Benzo[b]thiophene-2-carboxylicacid, 5-(trifluoromethyl)-, C10H5F3O2S, CID2783043, 5-(Trifluoromethyl)benzo[b]thiophene-2-carboxylicacid,

Complexity	292
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.996g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	246.203g/mol
Monoisotopic Mass	245.996g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H313-H303-H333
Packing Group
Precautionary statements	P305+P351+P338-P261
UN Code

Certificate of Analysis

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