| CAS Number | 62224-14-0 |
| Catalog Number | AG00EU4S(AGN-PC-0NHPSC) |
| Chemical Name | 3-Bromo-thiophene-2-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 3-bromothiophene-2-carboxylate |
| InChI | InChI=1S/C7H7BrO2S/c1-2-10-7(9)6-5(8)3-4-11-6/h3-4H,2H2,1H3 |
| InChI Key | OWQBBCHDTVSHOL-UHFFFAOYSA-N |
| MDL Number | MFCD06204433 |
| Molecular Formula | C7H7BrO2S |
| Molecular Weight | 235.0983 |
| SMILES | C1(SC=CC=1Br)C(OCC)=O |
| Synonyms | ETHYL 3-BROMOTHIOPHENE-2-CARBOXYLATE,
62224-14-0,
3-BROMO-2-THIOPHENECARBOXYLIC ACID ETHYL ESTER,
SCHEMBL6552892,
CTK2C4651,
DTXSID60477158,
ANW-63487,
MFCD06204433,
ZINC38846394,
AKOS010486192,
MB03699,
AJ-96967,
DB-073072,
TC-152232,
FT-0758199,
2-Thiophenecarboxylic acid, 3-bromo-, ethyl ester,
ETHYL3-BROMOTHIOPHENE-2-CARBOXYLATE,
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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 | 233.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.095g/mol |
| Monoisotopic Mass | 233.935g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number