2-Bromo-4-methoxyphenylacetic acid - CAS 66916-99-2
Catalog: |
BB033147 |
Product Name: |
2-Bromo-4-methoxyphenylacetic acid |
CAS: |
66916-99-2 |
Synonyms: |
2-(2-bromo-4-methoxyphenyl)acetic acid |
IUPAC Name: | 2-(2-bromo-4-methoxyphenyl)acetic acid |
Description: | 2-Bromo-4-methoxyphenylacetic acid (CAS# 66916-99-2) is a useful research chemical. |
Molecular Weight: | 245.07 |
Molecular Formula: | C9H9BrO3 |
Canonical SMILES: | COC1=CC(=C(C=C1)CC(=O)O)Br |
InChI: | InChI=1S/C9H9BrO3/c1-13-7-3-2-6(4-9(11)12)8(10)5-7/h2-3,5H,4H2,1H3,(H,11,12) |
InChI Key: | XQELSBAAFMYSMG-UHFFFAOYSA-N |
Boiling Point: | 353.6 ℃ at 760 mmHg |
Melting Point: | 127-131 ℃ |
Purity: | 97 % |
Density: | 1.56 g/cm3 |
Appearance: | White to brown crystals or powder |
MDL: | MFCD02664700 |
LogP: | 2.08480 |
GHS Hazard Statement: | H301 (88.37%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P391, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021155316-A1 | Compounds and uses thereof | 20200129 |
AU-2015284135-A1 | Heteroaryl compounds useful as inhibitors of SUMO activating enzyme | 20140701 |
AU-2015284135-B2 | Heteroaryl compounds useful as inhibitors of SUMO activating enzyme | 20140701 |
CA-2953132-A1 | Heteroaryl compounds useful as inhibitors of sumo activating enzyme | 20140701 |
EA-034119-B1 | HETEROaryL COMPOUNDS USED AS SUMO-ACTIVATING ENZYME INHIBITORS | 20140701 |
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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