5'-Bromo-2'-fluoropropiophenone - CAS 864774-65-2
Catalog: |
BB037953 |
Product Name: |
5'-Bromo-2'-fluoropropiophenone |
CAS: |
864774-65-2 |
Synonyms: |
1-(5-bromo-2-fluorophenyl)-1-propanone; 1-(5-bromo-2-fluorophenyl)propan-1-one |
IUPAC Name: | 1-(5-bromo-2-fluorophenyl)propan-1-one |
Description: | 5'-Bromo-2'-fluoropropiophenone (CAS# 864774-65-2) is a useful research chemical. |
Molecular Weight: | 231.06 |
Molecular Formula: | C9H8BrFO |
Canonical SMILES: | CCC(=O)C1=C(C=CC(=C1)Br)F |
InChI: | InChI=1S/C9H8BrFO/c1-2-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3 |
InChI Key: | ZTNPZJQLIBWJDY-UHFFFAOYSA-N |
LogP: | 3.18090 |
Publication Number | Title | Priority Date |
WO-2021041237-A1 | Thyroid hormone receptor beta agonist compounds | 20190823 |
CA-2985327-A1 | Crystal of salt of novel 3-azabicyclo[3.1.0]hexane derivative and pharmaceutical use thereof | 20150520 |
EP-3299357-A1 | Crystal of salt of novel 3-azabicyclo[3.1.0]hexane derivative and pharmaceutical use thereof | 20150520 |
KR-20180004734-A | Crystals of salts of novel 3-azabicyclo [3.1.0] hexane derivatives and uses thereof for medicaments | 20150520 |
US-10392345-B2 | Crystal of salt of novel 3-azabicyclo[3.1.0]hexane derivative and pharmaceutical use thereof | 20150520 |
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: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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