5-Bromo-2-hydroxy-4-methoxybenzoic acid - CAS 98437-41-3
Catalog: |
BB042164 |
Product Name: |
5-Bromo-2-hydroxy-4-methoxybenzoic acid |
CAS: |
98437-41-3 |
Synonyms: |
5-bromo-4-methoxysalicylic acid; Benzoic acid, 5-bromo-2-hydroxy-4-methoxy-; 2-Bromo-5-hydroxy-4-methoxybenzoic acid |
IUPAC Name: | 5-bromo-2-hydroxy-4-methoxybenzoic acid |
Molecular Weight: | 247.04 |
Molecular Formula: | C8H7BrO4 |
Canonical SMILES: | COC1=C(C=C(C(=C1)O)C(=O)O)Br |
InChI: | InChI=1S/C8H7BrO4/c1-13-7-3-6(10)4(8(11)12)2-5(7)9/h2-3,10H,1H3,(H,11,12) |
InChI Key: | KXVQEKFWNOZTQX-UHFFFAOYSA-N |
Boiling Point: | 365.7±42.0°C (Predicted) |
Melting Point: | 270-274°C |
Purity: | ≥97% |
Density: | 1.757±0.06 g/cm3 (Predicted) |
Appearance: | Solid |
MDL: | MFCD05865173 |
LogP: | 1.86150 |
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 |
EP-3636637-A1 | Inhibiting fatty acid synthase (fasn) | 20181010 |
US-2020115368-A1 | Inhibiting fatty acid synthase (fasn) | 20181010 |
WO-2020077071-A1 | Inhibiting fatty acid synthase (fasn) | 20181010 |
TW-202026283-A | Inhibiting fatty acid synthase (fasn) | 20181010 |
US-10875848-B2 | Inhibiting fatty acid synthase (FASN) | 20181010 |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.95277 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.95277 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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