2-Benzyloxybromobenzene - CAS 31575-75-4
Catalog: |
BB020981 |
Product Name: |
2-Benzyloxybromobenzene |
CAS: |
31575-75-4 |
Synonyms: |
1-bromo-2-phenylmethoxybenzene |
IUPAC Name: | 1-bromo-2-phenylmethoxybenzene |
Description: | Reagent used in the preparation of different inhibitors. |
Molecular Weight: | 263.13 |
Molecular Formula: | C13H11BrO |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC=CC=C2Br |
InChI: | InChI=1S/C13H11BrO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9H,10H2 |
InChI Key: | NBHAHMHUMMWFPJ-UHFFFAOYSA-N |
Boiling Point: | 335.2 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.382 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD03427006 |
LogP: | 4.02810 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021150574-A1 | Sulfonimidamide compounds as nlrp3 modulators | 20200122 |
US-2021107889-A1 | 2-azaspiro[3.4]octane derivatives as m4 agonists | 20191009 |
WO-2021070090-A1 | 2-azaspiro[3.4]octane derivatives as m4 agonists | 20191009 |
US-2020354345-A1 | Modulators of thr-beta and methods of use thereof | 20190508 |
WO-2020227549-A1 | MODULATORS OF THR-β AND METHODS OF USE THEREOF | 20190508 |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.99933 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.99933 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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