AG003RRY

88105-17-3 | Methyl 3-Chlorothiophene-2-Carboxylate

AG003RRY

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CAS Number	88105-17-3
Catalog Number	AG003RRY(AGN-PC-0KKYBJ)
Chemical Name	Methyl 3-Chlorothiophene-2-Carboxylate
IUPAC Name	methyl 3-chlorothiophene-2-carboxylate
InChI	InChI=1S/C6H5ClO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,1H3
InChI Key	ZWKYYONTMGVPSP-UHFFFAOYSA-N
MDL Number	MFCD00068135
Molecular Formula	C6H5ClO2S
Molecular Weight	176.6207
SMILES	COC(=O)C1=C(Cl)C=CS1
Synonyms	methyl 3-chlorothiophene-2-carboxylate, 88105-17-3, Methyl3-chlorothiophene-2-carboxylate, MFCD00068135, methyl 3-chloro-2-thiophenecarboxylate, 2-Thiophenecarboxylic acid, 3-chloro-, methyl ester, 3-CHLOROTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER, PubChem9775, ACMC-20ai7j, AC1MCRT6, Maybridge1_003830, KSC495C2P, SCHEMBL159806, CTK3J5127, HMS552G02, ZINC82005, DTXSID90380565, ZWKYYONTMGVPSP-UHFFFAOYSA-N, KS-000011IK, ANW-74525, SBB053879, AKOS000279662, CM-1874, FS-1480, MCULE-7869254655, Methyl-3-chlorothiophene-2-carboxylate, PB32116, RP23821, RTR-027653, VT20409, AJ-10576, AN-35354, CJ-00668, SC-52835, ZB002914, DB-012462, TR-027653, 4CH-021968, FT-0082919, FT-0628552, ST24047819, ST50407121, Z3245, A10483, Q-4539, I09-1294, J-522167, 3-CHLORO-2-THIOPHENECARBOXYLIC ACID METHYL ESTER, Z1350606486, Methyl chlorothiolformate, C6H5ClO2S, ZINC00082005, ACN-051696, CID2777566, Methyl 3-chlorothiophene-2-carboxylate, 97% - 1G 1g,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.97g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.614g/mol
Monoisotopic Mass	175.97g/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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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