5-Bromo-2,4-dihydroxybenzoic acid monohydrate - CAS 160348-98-1
Catalog: |
BB011626 |
Product Name: |
5-Bromo-2,4-dihydroxybenzoic acid monohydrate |
CAS: |
160348-98-1 |
Synonyms: |
5-bromo-2,4-dihydroxybenzoic acid;hydrate |
IUPAC Name: | 5-bromo-2,4-dihydroxybenzoic acid;hydrate |
Description: | 5-Bromo-2,4-dihydroxybenzoic acid monohydrate (CAS# 160348-98-1 ) is a useful research chemical. |
Molecular Weight: | 251.03 |
Molecular Formula: | C7H7BrO5 |
Canonical SMILES: | C1=C(C(=CC(=C1Br)O)O)C(=O)O.O |
InChI: | InChI=1S/C7H5BrO4.H2O/c8-4-1-3(7(11)12)5(9)2-6(4)10;/h1-2,9-10H,(H,11,12);1H2 |
InChI Key: | MRIKDYLDHHINRD-UHFFFAOYSA-N |
Boiling Point: | 436.7 °C at 760 mmHg |
Appearance: | Powder |
MDL: | MFCD00149094 |
LogP: | 1.49420 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019152847-A1 | Disease detection and treatment based on trimethyl-lysine levels | 20180201 |
EP-3746066-A1 | Disease detection and treatment based on trimethyl-lysine levels | 20180201 |
US-2021038550-A1 | Disease detection and treatment based on trimethyl-lysine levels | 20180201 |
EP-3641748-A1 | Treating disease and promoting weight loss by inhibiting the tma/fmo3/tmao pathway | 20170619 |
US-2020121615-A1 | Treating disease and promoting weight loss by inhibiting the tma/fmo3/tmao pathway | 20170619 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.94769 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.94769 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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