Methyl 4-(4-bromophenyl)benzoate - CAS 89901-03-1
Catalog: |
BB039687 |
Product Name: |
Methyl 4-(4-bromophenyl)benzoate |
CAS: |
89901-03-1 |
Synonyms: |
methyl 4-(4-bromophenyl)benzoate |
IUPAC Name: | methyl 4-(4-bromophenyl)benzoate |
Description: | Methyl 4-(4-bromophenyl)benzoate (CAS# 89901-03-1) is a reagent used in the synthesis of rigid linkers for bioactive peptides. |
Molecular Weight: | 291.14 |
Molecular Formula: | C14H11BrO2 |
Canonical SMILES: | COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br |
InChI: | InChI=1S/C14H11BrO2/c1-17-14(16)12-4-2-10(3-5-12)11-6-8-13(15)9-7-11/h2-9H,1H3 |
InChI Key: | JHNMJLKCONRGMK-UHFFFAOYSA-N |
Boiling Point: | 382.7 °C at 760 mmHg |
Density: | 1.394 g/cm3 |
MDL: | MFCD00496638 |
LogP: | 3.90270 |
GHS Hazard Statement: | H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P273, P280, P305+P351+P338, P310, P391, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-109880113-B | Metal-organic framework of Zn, preparation method and application thereof | 20190311 |
WO-2020054788-A1 | Imidazopyridinone compound | 20180913 |
TW-202024077-A | Imidazopyridinone compound | 20180913 |
CN-112689637-A | Imidazopyridinone compounds | 20180913 |
EP-3808747-A1 | Imidazopyridinone compound | 20180913 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 289.99424 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 289.99424 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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