5-(Trifluoromethyl)-3-thiophenecarboxylic Acid - CAS 1260671-29-1
Catalog: |
BB006335 |
Product Name: |
5-(Trifluoromethyl)-3-thiophenecarboxylic Acid |
CAS: |
1260671-29-1 |
Synonyms: |
5-(trifluoromethyl)-3-thiophenecarboxylic acid; 5-(trifluoromethyl)thiophene-3-carboxylic acid |
IUPAC Name: | 5-(trifluoromethyl)thiophene-3-carboxylic acid |
Description: | 5-(Trifluoromethyl)-3-thiophenecarboxylic Acid (CAS# 1260671-29-1 ) is a useful research chemical. |
Molecular Weight: | 196.15 |
Molecular Formula: | C6H3F3O2S |
Canonical SMILES: | C1=C(SC=C1C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C6H3F3O2S/c7-6(8,9)4-1-3(2-12-4)5(10)11/h1-2H,(H,10,11) |
InChI Key: | QUSPHKDGEXJFMJ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3660003-A1 | Heterocyclic compound | 20170728 |
JP-WO2019022179-A1 | Heterocyclic compound | 20170728 |
WO-2019022179-A1 | Heterocyclic compounds | 20170728 |
US-2020231579-A1 | Heterocyclic compound | 20170728 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.98058499 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.98058499 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 65.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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