3-Benzyloxybromobenzene - CAS 53087-13-1
Catalog: |
BB028046 |
Product Name: |
3-Benzyloxybromobenzene |
CAS: |
53087-13-1 |
Synonyms: |
1-bromo-3-phenylmethoxybenzene |
IUPAC Name: | 1-bromo-3-phenylmethoxybenzene |
Description: | 3-Benzyloxybromobenzene (CAS# 53087-13-1) is a useful research chemical. |
Molecular Weight: | 263.13 |
Molecular Formula: | C13H11BrO |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC(=CC=C2)Br |
InChI: | InChI=1S/C13H11BrO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10H2 |
InChI Key: | HVWZMGZBJCJDOX-UHFFFAOYSA-N |
Boiling Point: | 333.5 °C at 760 mmHg |
Melting Point: | 57-60 °C |
Purity: | 98 % |
Density: | 1.382 g/cm3 |
Appearance: | Whitetolightyellowcrystalpowde |
MDL: | MFCD00155065 |
LogP: | 4.02810 |
GHS Hazard Statement: | H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P273, P280, P302+P352, P305+P351+P338, P310, P321, P333+P313, P363, P391, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021174046-A1 | Gpr40 agonists | 20200228 |
WO-2021174048-A1 | Gpr40 agonists | 20200228 |
CN-112979747-A | Hydroxyproline derivative for preparing protein degradation targeting chimera | 20191216 |
CN-112830919-A | Benzopiperidine derivatives as pharmaceutical agents and process for preparing them | 20191122 |
WO-2021083949-A1 | Bifunctional compounds for the treatment of cancer | 20191029 |
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: | 4.5 |
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