3-Bromothiophene-2-carboxylic acid - CAS 7311-64-0
Catalog: |
BB034779 |
Product Name: |
3-Bromothiophene-2-carboxylic acid |
CAS: |
7311-64-0 |
Synonyms: |
3-bromothiophene-2-carboxylic acid |
IUPAC Name: | 3-bromothiophene-2-carboxylic acid |
Description: | 3-Bromothiophene-2-carboxylic acid (CAS# 7311-64-0) is a useful research chemical. |
Molecular Weight: | 207.05 |
Molecular Formula: | C5H3BrO2S |
Canonical SMILES: | C1=CSC(=C1Br)C(=O)O |
InChI: | InChI=1S/C5H3BrO2S/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8) |
InChI Key: | VQQLWBUTTMNMFT-UHFFFAOYSA-N |
Boiling Point: | 318 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.923 g/cm3 |
MDL: | MFCD00052291 |
LogP: | 2.20880 |
GHS Hazard Statement: | H315 (13.33%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111440141-A | Preparation method of hydroxymethyl substituted aromatic heterocyclic compound | 20200520 |
CN-111269260-A | Tri (2-methyl-2-phenylpropyl) tin 3-bromothiophene-2-formate complex and preparation method and application thereof | 20191226 |
WO-2021127356-A1 | Substituted Bicyclic and Tricyclic Ureas and Amides, Analogues Thereof, and Methods Using Same | 20191220 |
CN-112457326-A | Aromatic heterocyclic lactam compound, preparation method and application | 20190906 |
US-2021032251-A1 | Heterobicyclic amides as inhibitors of cd38 | 20190731 |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.90371 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.90371 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 65.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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