AG00EKDV

60166-85-0 | 5-Iodo-thiophene-2-carboxylic acid

AG00EKDV

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CAS Number	60166-85-0
Catalog Number	AG00EKDV(AGN-PC-0NJIBH)
Chemical Name	5-Iodo-thiophene-2-carboxylic acid
IUPAC Name	5-iodothiophene-2-carboxylic acid
InChI	InChI=1S/C5H3IO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
InChI Key	HQCXDWXNOLVWER-UHFFFAOYSA-N
MDL Number	MFCD17215786
Molecular Formula	C5H3IO2S
Molecular Weight	254.0456
SMILES	O=C(C1=CC=C(I)S1)O
Synonyms	5-Iodothiophene-2-carboxylic acid, 60166-85-0, 5-iodo-2-Thiophenecarboxylic acid, 5-Iodo-thiophene-2-carboxylic acid, 5-Iodo-2-thenoic acid, C5H3IO2S, 5-iodo-2-thiophenecarboxylic, SCHEMBL7447302, CTK5B1082, KS-00000IBB, DTXSID60503481, HQCXDWXNOLVWER-UHFFFAOYSA-N, 2-Thiophenecarboxylic acid, 5-iodo-, 8970AB, MFCD17215786, ZINC39250366, AKOS016009796, DS-6336, AJ-99391, AK113691, DB-072761, ST2406288, 4CH-017277, FT-0727879,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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