AG002YCH

29421-99-6 | 4-Bromo-5-methylthiophene-2-carboxylic acid

AG002YCH

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CAS Number	29421-99-6
Catalog Number	AG002YCH(AGN-PC-0JWIUT)
Chemical Name	4-Bromo-5-methylthiophene-2-carboxylic acid
IUPAC Name	4-bromo-5-methylthiophene-2-carboxylic acid
InChI	InChI=1S/C6H5BrO2S/c1-3-4(7)2-5(10-3)6(8)9/h2H,1H3,(H,8,9)
InChI Key	JUPQMRVILHTCOF-UHFFFAOYSA-N
MDL Number	MFCD01859873
Molecular Formula	C6H5BrO2S
Molecular Weight	221.0717
SMILES	O=C(C1=CC(Br)=C(C)S1)O
Synonyms	4-bromo-5-methylthiophene-2-carboxylic acid, 29421-99-6, 2-Thiophenecarboxylic acid, 4-bromo-5-methyl-, 4-bromo-5-methyl-2-thiophenecarboxylic acid, AC1LGC8P, AI-942/25034163, SCHEMBL1529532, CTK0J1321, DTXSID70356001, JUPQMRVILHTCOF-UHFFFAOYSA-N, ZINC5045697, BBL022570, MFCD01859873, SBB018976, STK351003, AKOS000313766, DS-6050, MCULE-7245688635, QC-6039, AJ-53020, AK112850, DA-07253, AB0065230, ST4145809, BB 0261186, CS-0054975, FT-0744664, ST24043451, EN300-92772, L-2188, Z1816507566, 3-Bromothiophene-2-carboxylic acid, CID818889,

Complexity	151
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	1
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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