AG001SJE

161942-89-8 | 2-Thiopheneacetic acid, 4-bromo-

AG001SJE

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CAS Number	161942-89-8
Catalog Number	AG001SJE(AGN-PC-0398M4)
Chemical Name	2-Thiopheneacetic acid, 4-bromo-
IUPAC Name	2-(4-bromothiophen-2-yl)acetic acid
InChI	InChI=1S/C6H5BrO2S/c7-4-1-5(10-3-4)2-6(8)9/h1,3H,2H2,(H,8,9)
InChI Key	RQLBAXZWESSFHI-UHFFFAOYSA-N
MDL Number	MFCD09839310
Molecular Formula	C6H5BrO2S
Molecular Weight	221.0717
SMILES	OC(=O)CC1=CC(Br)=CS1
Synonyms	161942-89-8, 2-(4-bromothiophen-2-yl)acetic acid, 4-bromothiophene-2-acetic acid, (4-Bromothien-2-yl)acetic acid, 4-bromo-2-carboxymethylthiophene, (4-bromothiophen-2-yl)acetic acid, 4-bromo-2-thiopheneacetic acid, SCHEMBL1492936, CTK4D1018, DTXSID70611728, RQLBAXZWESSFHI-UHFFFAOYSA-N, 2-Thiopheneacetic acid, 4-bromo-, 4-Bromo-2-(carboxymethyl)thiophene, KS-00002A5Y, ANW-55522, BBL103046, MFCD09839310, STL556855, ZINC19735940, AKOS005258473, 4-Bromothiophene-2-acetic acid, 97%, PS-4357, QC-5957, RP05188, RTR-006916, AJ-74728, AB0040150, TR-006916, FT-0678223, Y7718, C-6162, I04-3586, W-205887, C6H5BrO2S,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.919g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.068g/mol
Monoisotopic Mass	219.919g/mol
Rotatable Bond Count	2
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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