3-Bromo-4-formylbenzoic Acid - CAS 91760-66-6
Catalog: |
BB040339 |
Product Name: |
3-Bromo-4-formylbenzoic Acid |
CAS: |
91760-66-6 |
Synonyms: |
3-bromo-4-formylbenzoic acid; 3-bromo-4-formylbenzoic acid |
IUPAC Name: | 3-bromo-4-formylbenzoic acid |
Description: | 3-Bromo-4-formylbenzoic Acid (CAS# 91760-66-6 ) is a useful research chemical. |
Molecular Weight: | 229.03 |
Molecular Formula: | C8H5BrO3 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)Br)C=O |
InChI: | InChI=1S/C8H5BrO3/c9-7-3-5(8(11)12)1-2-6(7)4-10/h1-4H,(H,11,12) |
InChI Key: | GBKQIFMNYQGCEJ-UHFFFAOYSA-N |
LogP: | 1.95980 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020198053-A1 | 2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-6-yl)-4-methylbenzamide derivatives and similar compounds as ripk2 inhibitors for treating e.g. autoimmune diseases | 20190322 |
AU-2018388404-A1 | Aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors | 20171222 |
AU-2018392816-A1 | Chromenopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors | 20171222 |
WO-2019126730-A1 | Chromenopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors | 20171222 |
WO-2019126731-A1 | Aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors | 20171222 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.94221 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.94221 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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