Methyl 2-(Bromomethyl)-4-cyanobenzoate - CAS 165111-46-6
Catalog: |
BB012167 |
Product Name: |
Methyl 2-(Bromomethyl)-4-cyanobenzoate |
CAS: |
165111-46-6 |
Synonyms: |
2-(bromomethyl)-4-cyanobenzoic acid methyl ester; methyl 2-(bromomethyl)-4-cyanobenzoate |
IUPAC Name: | methyl 2-(bromomethyl)-4-cyanobenzoate |
Description: | Methyl 2-(Bromomethyl)-4-cyanobenzoate (CAS# 165111-46-6 ) is a useful research chemical. |
Molecular Weight: | 254.08 |
Molecular Formula: | C10H8BrNO2 |
Canonical SMILES: | COC(=O)C1=C(C=C(C=C1)C#N)CBr |
InChI: | InChI=1S/C10H8BrNO2/c1-14-10(13)9-3-2-7(6-12)4-8(9)5-11/h2-4H,5H2,1H3 |
InChI Key: | QMLVCVLSZNSKJM-UHFFFAOYSA-N |
Boiling Point: | 380.5 ℃ at 760 mmHg |
Density: | 1.53 g/cm3 |
LogP: | 2.23978 |
Publication Number | Title | Priority Date |
US-2020369679-A1 | Protein-targeting compounds and pharmaceutical compositions thereof, and their therapeutic applications | 20190524 |
WO-2020242960-A1 | Compounds targeting proteins and pharmaceutical compositions thereof, and their therapeutic applications | 20190524 |
TW-202000656-A | Aminoamide compounds | 20180613 |
US-2020009120-A1 | Aminoamide compounds | 20180613 |
WO-2019241274-A1 | Aminoamide compounds | 20180613 |
Complexity: | 258 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.97384 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.97384 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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