2-Acetyl-4-bromothiophene - CAS 7209-11-2
Catalog: |
BB034533 |
Product Name: |
2-Acetyl-4-bromothiophene |
CAS: |
7209-11-2 |
Synonyms: |
1-(4-bromo-2-thiophenyl)ethanone; 1-(4-bromothiophen-2-yl)ethanone |
IUPAC Name: | 1-(4-bromothiophen-2-yl)ethanone |
Description: | 2-Acetyl-4-bromothiophene (CAS# 7209-11-2) is a useful research chemical. |
Molecular Weight: | 205.07 |
Molecular Formula: | C6H5BrOS |
Canonical SMILES: | CC(=O)C1=CC(=CS1)Br |
InChI: | InChI=1S/C6H5BrOS/c1-4(8)6-2-5(7)3-9-6/h2-3H,1H3 |
InChI Key: | HXVLWNKFMNRJED-UHFFFAOYSA-N |
Boiling Point: | 66-67 ℃ / 0.2 mmHg |
Density: | 1.619 g/cm3 |
MDL: | MFCD01566552 |
LogP: | 2.71320 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021133833-A1 | Compositions for use in the inhibition of dihydroorotate dehydrogenase | 20191226 |
WO-2021134045-A1 | Methods and compositions for inhibition of dihydroorotate dehydrogenase in combination with an anti-cd38 therapeutic agent | 20191226 |
US-2021188857-A1 | Sos1 inhibitors | 20191220 |
WO-2021127429-A1 | Sos1 inhibitors | 20191220 |
WO-2021002473-A1 | Nrf2-activating compound | 20190703 |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.92445 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.92445 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS