AG00EKC0

62353-77-9 | 3-Iodo-thiophene-2-carboxylic acid Methyl ester

AG00EKC0

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CAS Number	62353-77-9
Catalog Number	AG00EKC0(AGN-PC-0KKNJD)
Chemical Name	3-Iodo-thiophene-2-carboxylic acid Methyl ester
IUPAC Name	methyl 3-iodothiophene-2-carboxylate
InChI	InChI=1S/C6H5IO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,1H3
InChI Key	OQVZCJDXKDUWDY-UHFFFAOYSA-N
MDL Number	MFCD03407485
Molecular Formula	C6H5IO2S
Molecular Weight	268.0722
SMILES	O=C(C1=C(I)C=CS1)OC
Synonyms	methyl 3-iodothiophene-2-carboxylate, 62353-77-9, 3-Iodo-thiophene-2-carboxylic acid methyl ester, AC1MC1E0, SCHEMBL6432535, CTK2C1709, DTXSID00374955, ZINC2513543, MFCD03407485, AKOS024258504, GS-5473, MCULE-2580038897, AJ-36851, METHYL3-IODOTHIOPHENE-2-CARBOXYLATE, ST2407212, FT-0738901, ST51041831, KS-00002628, Z-8182, 2-Thiophenecarboxylic acid, 3-iodo-, methyl ester, Z1741962770, ZINC02513543, CID2759869,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	267.905g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	268.068g/mol
Monoisotopic Mass	267.905g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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