3-Chlorothiophene-2-carboxylic acid - CAS 59337-89-2
Catalog: |
BB030352 |
Product Name: |
3-Chlorothiophene-2-carboxylic acid |
CAS: |
59337-89-2 |
Synonyms: |
3-chlorothiophene-2-carboxylic acid |
IUPAC Name: | 3-chlorothiophene-2-carboxylic acid |
Description: | 3-Chlorothiophene-2-carboxylic acid (CAS# 59337-89-2) is a useful research chemical. |
Molecular Weight: | 162.59 |
Molecular Formula: | C5H3ClO2S |
Canonical SMILES: | C1=CSC(=C1Cl)C(=O)O |
InChI: | InChI=1S/C5H3ClO2S/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8) |
InChI Key: | BXEAAHIHFFIMIE-UHFFFAOYSA-N |
Boiling Point: | 291.7 °C at 760 mmHg |
Melting Point: | 180-182 °C |
Purity: | 95 % |
Density: | 1.572 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD00043888 |
LogP: | 2.09970 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020264581-A1 | Boron containing compounds and their uses | 20190628 |
WO-2020123855-A1 | Inhibitor compounds for male contraception | 20181212 |
EP-3733665-A1 | Nitrogen-containing six-membered ring compound | 20171225 |
US-2020347046-A1 | Nitrogen-containing 6-membered cyclic compound | 20171225 |
US-10988468-B2 | Nitrogen-containing 6-membered cyclic compound | 20171225 |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.9542282 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.9542282 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 65.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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