3-Bromothiophene-2-carboxamide - CAS 78031-18-2
Catalog: |
BB036101 |
Product Name: |
3-Bromothiophene-2-carboxamide |
CAS: |
78031-18-2 |
Synonyms: |
3-bromo-2-thiophenecarboxamide; 3-bromothiophene-2-carboxamide |
IUPAC Name: | 3-bromothiophene-2-carboxamide |
Description: | 3-Bromothiophene-2-carboxamide (CAS# 78031-18-2 ) is a useful research chemical. |
Molecular Weight: | 206.06 |
Molecular Formula: | C5H4BrNOS |
Canonical SMILES: | C1=CSC(=C1Br)C(=O)N |
InChI: | InChI=1S/C5H4BrNOS/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H2,7,8) |
InChI Key: | KWXUWNXTRUZHNQ-UHFFFAOYSA-N |
Boiling Point: | 318 °C at 760 mmHg |
Density: | 1.81 g/cm3 |
Appearance: | Solid |
LogP: | 2.30980 |
Publication Number | Title | Priority Date |
CN-108976172-A | A kind of 4- pyrimidinediamine micromolecular organic compound and its derivative and its application | 20170531 |
AU-2011289377-A1 | Heteroaryls and uses thereof | 20100811 |
CA-2807971-A1 | Heteroaryls and uses thereof | 20100811 |
EP-2603214-A1 | Heteroaryls and uses thereof | 20100811 |
JP-2013536193-A | Heteroaryls and uses thereof | 20100811 |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.9197 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.9197 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 71.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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