3'-Bromo-4'-(bromomethyl)acetophenone - CAS 909190-70-1
Catalog: |
BB039991 |
Product Name: |
3'-Bromo-4'-(bromomethyl)acetophenone |
CAS: |
909190-70-1 |
Synonyms: |
1-[3-bromo-4-(bromomethyl)phenyl]ethanone; 1-[3-bromo-4-(bromomethyl)phenyl]ethanone |
IUPAC Name: | 1-[3-bromo-4-(bromomethyl)phenyl]ethanone |
Description: | 3'-Bromo-4'-(bromomethyl)acetophenone (CAS# 909190-70-1 ) is a useful research chemical. |
Molecular Weight: | 291.97 |
Molecular Formula: | C9H8Br2O |
Canonical SMILES: | CC(=O)C1=CC(=C(C=C1)CBr)Br |
InChI: | InChI=1S/C9H8Br2O/c1-6(12)7-2-3-8(5-10)9(11)4-7/h2-4H,5H2,1H3 |
InChI Key: | YCYQORKDKUHNBO-UHFFFAOYSA-N |
LogP: | 3.54660 |
Publication Number | Title | Priority Date |
EP-3400211-A1 | Azetidine modulators of the sphingosine 1-phosphate receptor | 20160104 |
US-2019047951-A1 | Azetidine modulators of the sphingosine 1-phosphate receptor | 20160104 |
WO-2017120124-A1 | Azetidine modulators of the sphingosine 1-phosphate receptor | 20160104 |
EP-2935296-A1 | Catalyst | 20121221 |
EP-2935296-B1 | Catalyst | 20121221 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.89214 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 289.89419 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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