| CAS Number | 1344027-40-2 |
| Catalog Number | AG009K62(AGN-PC-0GGYTH) |
| Chemical Name | 5-Bromo-2-methylthiophene-3-carboxylic Acid |
| IUPAC Name | 5-bromo-2-methylthiophene-3-carboxylic acid |
| InChI | InChI=1S/C6H5BrO2S/c1-3-4(6(8)9)2-5(7)10-3/h2H,1H3,(H,8,9) |
| InChI Key | WYEYXOWAHAJXHE-UHFFFAOYSA-N |
| MDL Number | MFCD20278363 |
| Molecular Formula | C6H5BrO2S |
| Molecular Weight | 221.0717 |
| SMILES | CC1=C(C(O)=O)C=C(Br)S1 |
| Synonyms | 5-bromo-2-methylthiophene-3-carboxylic acid,
1344027-40-2,
5-Bromo-2-methyl-thiophene-3-carboxylic acid,
SCHEMBL365155,
WYEYXOWAHAJXHE-UHFFFAOYSA-N,
3123AJ,
MFCD20278363,
ZINC83305309,
AKOS014978179,
NE63518,
AS-54942,
AJ-125885,
CS-0080177,
A1-01197,
C6H5BrO2S,
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| 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: |  |
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number