AG007UDR

170355-38-1 | Ethyl 5-bromothiophene-3-carboxylate

AG007UDR

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CAS Number	170355-38-1
Catalog Number	AG007UDR(AGN-PC-00OSFP)
Chemical Name	Ethyl 5-bromothiophene-3-carboxylate
IUPAC Name	ethyl 5-bromothiophene-3-carboxylate
InChI	InChI=1S/C7H7BrO2S/c1-2-10-7(9)5-3-6(8)11-4-5/h3-4H,2H2,1H3
InChI Key	LUYMKCLOYODOEI-UHFFFAOYSA-N
MDL Number	MFCD14155650
Molecular Formula	C7H7BrO2S
Molecular Weight	235.0983
SMILES	CCOC(=O)C1=CSC(Br)=C1
Synonyms	ETHYL 5-BROMOTHIOPHENE-3-CARBOXYLATE, 170355-38-1, 5-bromo-3-Thiophenecarboxylic acid ethyl ester, 3-Thiophenecarboxylic acid, 5-bromo-, ethyl ester, SCHEMBL938203, CTK4D3562, DTXSID50571073, LUYMKCLOYODOEI-UHFFFAOYSA-N, KS-00000OS9, ANW-68796, ethyl 2-bromo-4-thiophenecarboxylate, MFCD14155650, ZINC34526658, AKOS015898863, CS-W006091, FS-3696, QC-1816, AJ-89106, AK-63364, CJ-18443, SC-68760, AB0056127, DB-064780, TC-157541, 4CH-010491, FT-0650549, ST24024999, Z4274, 2-Bromothiophene-4-carboxylic acid ethyl ester, M-9419, 5-bromo-thiophene-3-carboxylic acid ethyl ester, I09-1855, PI-35048 ETHYL 5-BROMOTHIOPHENE-3-CARBOXYLATE, C7H7BrO2S,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.935g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	235.095g/mol
Monoisotopic Mass	233.935g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	54.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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