(3-Bromo-4-methoxyphenyl)acetic Acid - CAS 774-81-2
Catalog: |
BB035959 |
Product Name: |
(3-Bromo-4-methoxyphenyl)acetic Acid |
CAS: |
774-81-2 |
Synonyms: |
2-(3-bromo-4-methoxyphenyl)acetic acid; 2-(3-bromo-4-methoxyphenyl)acetic acid |
IUPAC Name: | 2-(3-bromo-4-methoxyphenyl)acetic acid |
Description: | (3-Bromo-4-methoxyphenyl)acetic Acid (CAS# 774-81-2) is a useful research chemical. |
Molecular Weight: | 245.07 |
Molecular Formula: | C9H9BrO3 |
Canonical SMILES: | COC1=C(C=C(C=C1)CC(=O)O)Br |
InChI: | InChI=1S/C9H9BrO3/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12) |
InChI Key: | POTVGQUUEQTPNA-UHFFFAOYSA-N |
Boiling Point: | 361.1 °C at 760 mmHg |
Density: | 1.56 g/cm3 |
MDL: | MFCD00017538 |
LogP: | 2.08480 |
GHS Hazard Statement: | H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P301+P312, P330, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021067490-A1 | Compounds, compositions and methods for treating nash, nafld, and obesity | 20191001 |
CN-113164571-A | Inhibition of ubiquitin-specific peptidase 9X | 20180919 |
CN-106279089-A | Formoononetin aliphatic ether analog derivative, its preparation method and medical usage | 20150611 |
WO-2016197463-A1 | Formononetin aliphatic ether derivative, and preparation method and pharmaceutical use thereof | 20150611 |
EP-3250569-A1 | Aldosterone synthase inhibitors | 20150130 |
PMID | Publication Date | Title | Journal |
21587800 | 20100605 | 2-(3-Bromo-4-meth-oxy-phen-yl)acetic acid | Acta crystallographica. Section E, Structure reports online |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.97351 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.97351 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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