| CAS Number | 1252900-85-8 |
| Catalog Number | AG000NFX(AGN-PC-0H9D7B) |
| Chemical Name | 5-Chloro-4-Cyclopropylthiophene-2-Carboxylic Acid |
| IUPAC Name | 5-chloro-4-cyclopropylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C8H7ClO2S/c9-7-5(4-1-2-4)3-6(12-7)8(10)11/h3-4H,1-2H2,(H,10,11) |
| InChI Key | GLJZZDMCKDFNNF-UHFFFAOYSA-N |
| MDL Number | MFCD24502450 |
| Molecular Formula | C8H7ClO2S |
| Molecular Weight | 202.6580 |
| SMILES | O=C(C1=CC(C2CC2)=C(Cl)S1)O |
| Synonyms | 5-chloro-4-cyclopropylthiophene-2-carboxylic acid,
1252900-85-8,
SCHEMBL660889,
GLJZZDMCKDFNNF-UHFFFAOYSA-N,
MFCD24502450,
ZINC98180991,
FCH1813351,
AK155921,
AJ-142097,
AX8290305,
2-Thiophenecarboxylic acid, 5-chloro-4-cyclopropyl-,
5-chloro-4-cyclopropyl-2-Thiophenecarboxylic acid,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.652g/mol |
| Monoisotopic Mass | 201.986g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number