2-Bromo-5-cyanobenzoic acid - CAS 845616-12-8
Catalog: |
BB037237 |
Product Name: |
2-Bromo-5-cyanobenzoic acid |
CAS: |
845616-12-8 |
Synonyms: |
2-bromo-5-cyanobenzoic acid; 2-bromo-5-cyanobenzoic acid |
IUPAC Name: | 2-bromo-5-cyanobenzoic acid |
Description: | 2-Bromo-5-cyanobenzoic acid (CAS# 845616-12-8) is a useful research chemical. |
Molecular Weight: | 226.03 |
Molecular Formula: | C8H4BrNO2 |
Canonical SMILES: | C1=CC(=C(C=C1C#N)C(=O)O)Br |
InChI: | InChI=1S/C8H4BrNO2/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-3H,(H,11,12) |
InChI Key: | LFMSICZVBGWOIA-UHFFFAOYSA-N |
Boiling Point: | 351.982 °C at 760 mmHg |
Density: | 1.822 g/cm3 |
LogP: | 2.01898 |
Publication Number | Title | Priority Date |
CN-109293586-A | A method of halogen benzoic acid synthesizes quinazolinones under microwave condition in ammonium hydroxide | 20181122 |
TW-202003457-A | Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives | 20180522 |
US-2019359565-A1 | Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives | 20180522 |
WO-2019226490-A1 | Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives | 20180522 |
AU-2019272538-A1 | Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives | 20180522 |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.94254 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.94254 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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