AG0001XY

100421-52-1 | 2-Thiophenecarboxylic acid, 3-fluoro-, methyl ester

AG0001XY

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CAS Number	100421-52-1
Catalog Number	AG0001XY(AGN-PC-0N706E)
Chemical Name	2-Thiophenecarboxylic acid, 3-fluoro-, methyl ester
IUPAC Name	methyl 3-fluorothiophene-2-carboxylate
InChI	InChI=1S/C6H5FO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,1H3
InChI Key	UKIUEFZYSXIGPY-UHFFFAOYSA-N
MDL Number	MFCD16606491
Molecular Formula	C6H5FO2S
Molecular Weight	160.1661
SMILES	COC(=O)C=1SC=CC1F
Synonyms	Methyl 3-fluorothiophene-2-carboxylate, 100421-52-1, Methyl 3-Fluoro-2-thiophenecarboxylate, 3-Fluoro-thiophene-2-carboxylic acid methyl ester, 2-Thiophenecarboxylicacid,3-fluoro-,methylester, 2-Thiophenecarboxylic acid, 3-fluoro-, methyl ester, 3-FLUORO-2-THIOPHENECARBOXYLIC ACID METHYL ESTER, F2158-1264, PubChem15241, 3-Fluoro-thiophene-2-carboxylicacidmethylester, ACMC-209un6, SCHEMBL13919867, CTK8B4137, DTXSID00441994, UKIUEFZYSXIGPY-UHFFFAOYSA-N, BCP21931, ANW-43984, MFCD16606491, RW2831, ZINC39038314, Methyl3-fluorothiophene-2-carboxylate, AKOS006335083, ACN-025834, AN-2401, LS20067, MCULE-3325095076, QC-2035, VT20411, AJ-97393, AK-40928, CJ-19640, DS-13713, RC-76011, SC-14736, AB0033074, DB-058432, TC-063444, C2970, CS-0033481, FT-0660697, M2295, X6539, L-3614, 2-Thiophenecarboxylicacid, 3-fluoro-, methyl ester, I09-1781, J-522671, 2-Thiophenecarboxylicacid,3-fluoro-,methylester(9CI), C6H5FO2S, CB11867, CID10583081, A16201, 2-Thiophenecarboxylic acid, 3-fluoro-, methyl ester (9CI),

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.999g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.162g/mol
Monoisotopic Mass	159.999g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

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