5-Chloro-4-cyclopropylthiophene-2-carboxylic acid - CAS 1252900-85-8
Catalog: |
BB054737 |
Product Name: |
5-Chloro-4-cyclopropylthiophene-2-carboxylic acid |
CAS: |
1252900-85-8 |
Synonyms: |
2-Thiophenecarboxylic acid, 5-chloro-4-cyclopropyl- |
IUPAC Name: | 5-chloro-4-cyclopropylthiophene-2-carboxylic acid |
Molecular Weight: | 202.66 |
Molecular Formula: | C8H7ClO2S |
Canonical SMILES: | C1CC1C2=C(SC(=C2)C(=O)O)Cl |
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 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.9855283 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.9855283 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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