4-Bromothiophene-2-acetic acid - CAS 161942-89-8
Catalog: |
BB011798 |
Product Name: |
4-Bromothiophene-2-acetic acid |
CAS: |
161942-89-8 |
Synonyms: |
2-(4-bromothiophen-2-yl)acetic acid |
IUPAC Name: | 2-(4-bromothiophen-2-yl)acetic acid |
Description: | 4-Bromothiophene-2-acetic acid (CAS# 161942-89-8) is a useful research chemical. |
Molecular Weight: | 221.07 |
Molecular Formula: | C6H5BrO2S |
Canonical SMILES: | C1=C(SC=C1Br)CC(=O)O |
InChI: | InChI=1S/C6H5BrO2S/c7-4-1-5(10-3-4)2-6(8)9/h1,3H,2H2,(H,8,9) |
InChI Key: | RQLBAXZWESSFHI-UHFFFAOYSA-N |
Boiling Point: | 331.2 ℃ at 760 mmHg |
Density: | 1.804 g/cm3 |
Appearance: | Solid |
MDL: | MFCD09839310 |
LogP: | 2.13770 |
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 |
WO-2020099858-A1 | Cephalosporin ciprofloxacin hybrid compounds | 20181112 |
KR-20200032002-A | Novel thiazole derivatives and pharmaceutically acceptable salts thereof | 20180917 |
WO-2020060112-A1 | Novel thiazole derivatives and pharmaceutically acceptable salts thereof | 20180917 |
KR-102130253-B1 | Novel thiazole derivatives and pharmaceutically acceptable salts thereof | 20180917 |
KR-20200078465-A | Novel thiazole derivatives and pharmaceutically acceptable salts thereof | 20180917 |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.91936 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.91936 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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Thiophenes
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