AG0037GR

60166-84-9 | 3-Iodothiophene-2-carboxylic acid

AG0037GR

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CAS Number	60166-84-9
Catalog Number	AG0037GR(AGN-PC-0KKN6A)
Chemical Name	3-Iodothiophene-2-carboxylic acid
IUPAC Name	3-iodothiophene-2-carboxylic acid
InChI	InChI=1S/C5H3IO2S/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8)
InChI Key	MTGLHUXETAKGDB-UHFFFAOYSA-N
MDL Number	MFCD05664164
Molecular Formula	C5H3IO2S
Molecular Weight	254.0456
SMILES	IC1=C(SC=C1)C(=O)O
Synonyms	3-iodothiophene-2-carboxylic Acid, 60166-84-9, 2-Thiophenecarboxylic acid, 3-iodo-, 3-iodo-thiophene-2-carboxylic acid, AC1MC09J, SCHEMBL784001, AMOT0434, CTK2F2767, KS-00000NNE, DTXSID40374772, 3-iodo-2-thiophenecarboxylic acid, MTGLHUXETAKGDB-UHFFFAOYSA-N, 2-Thiophenecarboxylicacid,3-iodo-, 2-Thiophenecarboxylicacid, 3-iodo-, ZINC2548175, MFCD05664164, AKOS024388244, AM86013, DS-9515, FCH1325923, MCULE-8955518770, AK167455, FT-0736873, ST51042078, 3-Iodo-2-thiophenecarboxylic acid, AldrichCPR, CID2759376, 3-IODOTHIOPHENE-2-CARBOXYLICACID,

Complexity	128
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.89g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	254.041g/mol
Monoisotopic Mass	253.89g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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