AG0084MV

105995-73-1 | 2-Bromo-5-ethynylthiophene

AG0084MV

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CAS Number	105995-73-1
Catalog Number	AG0084MV(AGN-PC-0NI107)
Chemical Name	2-Bromo-5-ethynylthiophene
IUPAC Name	2-bromo-5-ethynylthiophene
InChI	InChI=1S/C6H3BrS/c1-2-5-3-4-6(7)8-5/h1,3-4H
InChI Key	UYVDCGFLVLPESJ-UHFFFAOYSA-N
MDL Number	MFCD08703509
Molecular Formula	C6H3BrS
Molecular Weight	187.0570
SMILES	C#CC1=CC=C(Br)S1
Synonyms	2-Bromo-5-ethynylthiophene, 105995-73-1, Thiophene,2-bromo-5-ethynyl-, 5-BROMO-2-ETHYNYL-THIOPHENE, C6H3BrS, ACMC-1C9MM, SCHEMBL13733900, CTK4A4266, DTXSID10479687, Thiophene, 2-bromo-5-(ethynyl)-, 5481AJ, MFCD08703509, ZINC86014507, AKOS006240466, FCH2593055, TRA0051902, BBV-38269696, CS-11680, SY027998, FT-0705039, MFCD08703509 (95+%), 2-(Aminomethyl)-1,3-benzodioxole,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.914g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	187.054g/mol
Monoisotopic Mass	185.914g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	28.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number