4-Chlorothiophene-2-carboxylic Acid - CAS 59614-95-8
Catalog: |
BB030435 |
Product Name: |
4-Chlorothiophene-2-carboxylic Acid |
CAS: |
59614-95-8 |
Synonyms: |
4-chloro-2-thiophenecarboxylic acid; 4-chlorothiophene-2-carboxylic acid |
IUPAC Name: | 4-chlorothiophene-2-carboxylic acid |
Description: | 4-Chlorothiophene-2-carboxylic Acid (CAS# 59614-95-8) is a useful research chemical. |
Molecular Weight: | 162.59 |
Molecular Formula: | C5H3ClO2S |
Canonical SMILES: | C1=C(SC=C1Cl)C(=O)O |
InChI: | InChI=1S/C5H3ClO2S/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H,7,8) |
InChI Key: | JWQMRBBWZUKWFJ-UHFFFAOYSA-N |
Boiling Point: | 298 °C / 760 mmHg |
Density: | 1.572 g/cm3 |
Appearance: | White powder |
Storage: | Keep in dark place. Inert atmosphere. Keep cold. |
MDL: | MFCD00082876 |
LogP: | 2.09970 |
GHS Hazard Statement: | H302 (33.33%): 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 |
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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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