AG000KJV

123418-69-9 | 2-Thiophenecarboxylic acid, 5-bromo-4-chloro-

AG000KJV

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CAS Number	123418-69-9
Catalog Number	AG000KJV(AGN-PC-013NW3)
Chemical Name	2-Thiophenecarboxylic acid, 5-bromo-4-chloro-
IUPAC Name	5-bromo-4-chlorothiophene-2-carboxylic acid
InChI	InChI=1S/C5H2BrClO2S/c6-4-2(7)1-3(10-4)5(8)9/h1H,(H,8,9)
InChI Key	KDAAIEHVVGYWRT-UHFFFAOYSA-N
MDL Number	MFCD08694669
Molecular Formula	C5H2BrClO2S
Molecular Weight	241.4902
SMILES	O=C(C1=CC(Cl)=C(Br)S1)O
Synonyms	5-broMo-4-chlorothiophene-2-carboxylic acid, 123418-69-9, 5-Bromo-4-chloro-2-thiophenecarboxylic acid, SCHEMBL1530004, KS-00000RAH, DTXSID60586279, KDAAIEHVVGYWRT-UHFFFAOYSA-N, MFCD08694669, ZINC39294204, AKOS000280518, AJ-99685, AK127116, 5-Bomo-4-chloro-2-thiophenecarboxylic acid, ST2411852, 4CH-016580, FT-0722639, 5-Bromo-4-chloro-2-thiophenecarboxylic acid, AldrichCPR,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.865g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	241.483g/mol
Monoisotopic Mass	239.865g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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