5-Bromo-2,4-dimethoxybenzoic acid - CAS 32246-20-1
Catalog: |
BB021237 |
Product Name: |
5-Bromo-2,4-dimethoxybenzoic acid |
CAS: |
32246-20-1 |
Synonyms: |
5-bromo-2,4-dimethoxybenzoic acid |
IUPAC Name: | 5-bromo-2,4-dimethoxybenzoic acid |
Description: | 5-Bromo-2,4-dimethoxybenzoic acid (CAS# 32246-20-1) is a useful research chemical. |
Molecular Weight: | 261.07 |
Molecular Formula: | C9H9BrO4 |
Canonical SMILES: | COC1=CC(=C(C=C1C(=O)O)Br)OC |
InChI: | InChI=1S/C9H9BrO4/c1-13-7-4-8(14-2)6(10)3-5(7)9(11)12/h3-4H,1-2H3,(H,11,12) |
InChI Key: | WOPJFSQYDOHZMK-UHFFFAOYSA-N |
Boiling Point: | 358.351 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.571 g/cm3 |
MDL: | MFCD05865172 |
LogP: | 2.16450 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112661698-A | Preparation method of elvitegravir | 20210114 |
CN-107667088-B | Novel benzoic acid amide compound | 20150331 |
EP-3279184-A1 | Novel benzoic acid amide compound | 20150331 |
EP-3279184-B1 | Novel benzoic acid amide compound | 20150331 |
JP-2018511604-A | New benzoic acid amide compounds | 20150331 |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.96842 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.96842 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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