AG002HLE

18895-00-6 | 3-Thiophenecarboxylic acid, 2-iodo-

AG002HLE

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CAS Number	18895-00-6
Catalog Number	AG002HLE(AGN-PC-0WA6UM)
Chemical Name	3-Thiophenecarboxylic acid, 2-iodo-
IUPAC Name	2-iodothiophene-3-carboxylic acid
InChI	InChI=1S/C5H3IO2S/c6-4-3(5(7)8)1-2-9-4/h1-2H,(H,7,8)
InChI Key	FVYBUDOVMJXWEC-UHFFFAOYSA-N
MDL Number	MFCD18451783
Molecular Formula	C5H3IO2S
Molecular Weight	254.0456
SMILES	O=C(C1=C(I)SC=C1)O
Synonyms	2-iodothiophene-3-carboxylic acid, 18895-00-6, 2-Iodo-3-thiophenecarboxylic acid, 3-Thiophenecarboxylic acid, 2-iodo-, SCHEMBL3230551, CTK0E1872, DTXSID60630564, FVYBUDOVMJXWEC-UHFFFAOYSA-N, MFCD18451783, AKOS025117592, ZINC141700102, FT-0769893, KS-00000297, 2-lodo-3-thiophencarboxylicacid,

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	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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