Methyl 2-Bromo-4-methoxybenzoate - CAS 17100-65-1
Catalog: |
BB012696 |
Product Name: |
Methyl 2-Bromo-4-methoxybenzoate |
CAS: |
17100-65-1 |
Synonyms: |
2-bromo-4-methoxybenzoic acid methyl ester; methyl 2-bromo-4-methoxybenzoate |
IUPAC Name: | methyl 2-bromo-4-methoxybenzoate |
Description: | Methyl 2-Bromo-4-methoxybenzoate (CAS# 17100-65-1) is a useful research chemical. |
Molecular Weight: | 245.07 |
Molecular Formula: | C9H9BrO3 |
Canonical SMILES: | COC1=CC(=C(C=C1)C(=O)OC)Br |
InChI: | InChI=1S/C9H9BrO3/c1-12-6-3-4-7(8(10)5-6)9(11)13-2/h3-5H,1-2H3 |
InChI Key: | MGIYCRUAYQQSNL-UHFFFAOYSA-N |
Boiling Point: | 292.939 °C at 760 mmHg |
Density: | 1.463 g/cm3 |
MDL: | MFCD12026001 |
LogP: | 2.24430 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019199816-A1 | Cereblon ligands and bifunctional compounds comprising the same | 20180413 |
AU-2019251223-A1 | Cereblon ligands and bifunctional compounds comprising the same | 20180413 |
CN-112262134-A | Cereblon ligand and bifunctional compound comprising same | 20180413 |
EP-3774772-A1 | Cereblon ligands and bifunctional compounds comprising the same | 20180413 |
KR-20210003804-A | Cerebron ligand and bifunctional compound comprising the same | 20180413 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.97351 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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