3'-Bromo-4'-(hydroxymethyl)acetophenone - CAS 1418144-62-3
Catalog: |
BB009261 |
Product Name: |
3'-Bromo-4'-(hydroxymethyl)acetophenone |
CAS: |
1418144-62-3 |
Synonyms: |
1-[3-bromo-4-(hydroxymethyl)phenyl]ethanone; 1-[3-bromo-4-(hydroxymethyl)phenyl]ethanone |
IUPAC Name: | 1-[3-bromo-4-(hydroxymethyl)phenyl]ethanone |
Description: | 3'-Bromo-4'-(hydroxymethyl)acetophenone (CAS# 1418144-62-3) is a useful research chemical compound. |
Molecular Weight: | 229.07 |
Molecular Formula: | C9H9BrO2 |
Canonical SMILES: | CC(=O)C1=CC(=C(C=C1)CO)Br |
InChI: | InChI=1S/C9H9BrO2/c1-6(12)7-2-3-8(5-11)9(10)4-7/h2-4,11H,5H2,1H3 |
InChI Key: | GADHCGDXVNYHTF-UHFFFAOYSA-N |
LogP: | 2.14400 |
Publication Number | Title | Priority Date |
WO-2019064184-A1 | PROCESS FOR THE PREPARATION OF SIPONIMOD, ITS SALTS AND ASSOCIATED SOLID STATE FORMS | 20170927 |
CN-111405897-A | Process for the preparation of siponimod, its salts and solid forms | 20170927 |
US-2020290961-A1 | Process for preparation of siponimod, its salts and solid state forms thereof | 20170927 |
EP-3400211-A1 | Azetidine modulators of the sphingosine 1-phosphate receptor | 20160104 |
US-2019047951-A1 | Azetidine modulators of the sphingosine 1-phosphate receptor | 20160104 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.97859 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.97859 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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