2-Bromo-3'-fluoropropiophenone - CAS 92821-83-5
Catalog: |
BB040657 |
Product Name: |
2-Bromo-3'-fluoropropiophenone |
CAS: |
92821-83-5 |
Synonyms: |
2-bromo-1-(3-fluorophenyl)-1-propanone; 2-bromo-1-(3-fluorophenyl)propan-1-one |
IUPAC Name: | 2-bromo-1-(3-fluorophenyl)propan-1-one |
Description: | 2-Bromo-3'-fluoropropiophenone (CAS# 92821-83-5 ) is a useful research chemical. |
Molecular Weight: | 231.06 |
Molecular Formula: | C9H8BrFO |
Canonical SMILES: | CC(C(=O)C1=CC(=CC=C1)F)Br |
InChI: | InChI=1S/C9H8BrFO/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6H,1H3 |
InChI Key: | FUWLUTOKEUZKCM-UHFFFAOYSA-N |
Boiling Point: | 255 ℃ at 760 mmHg |
Density: | 1.488 g/cm3 |
MDL: | MFCD11111433 |
LogP: | 2.79180 |
Publication Number | Title | Priority Date |
US-2021188786-A1 | Substituted 1,2,4-triazoles and methods of use | 20191218 |
WO-2012085852-A1 | 3,8-diaza-bicyclo[4.2.0]oct-8-yl amides | 20101222 |
WO-2012085857-A1 | 3,8-diaza-bicyclo[4.2.0]oct-3-yl amides | 20101222 |
AU-2011255276-A1 | Phenylmorpholines and analogues thereof | 20100521 |
AU-2011255276-B2 | Phenylmorpholines and analogues thereof | 20100521 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.97426 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.97426 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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