2-Bromo-3'-methylacetophenone - CAS 51012-64-7
Catalog: |
BB027293 |
Product Name: |
2-Bromo-3'-methylacetophenone |
CAS: |
51012-64-7 |
Synonyms: |
2-bromo-1-(3-methylphenyl)ethanone; 2-bromo-1-(3-methylphenyl)ethanone |
IUPAC Name: | 2-bromo-1-(3-methylphenyl)ethanone |
Description: | 2-Bromo-3'-methylacetophenone (CAS# 51012-64-7) is a useful research chemical. |
Molecular Weight: | 213.07 |
Molecular Formula: | C9H9BrO |
Canonical SMILES: | CC1=CC=CC(=C1)C(=O)CBr |
InChI: | InChI=1S/C9H9BrO/c1-7-3-2-4-8(5-7)9(11)6-10/h2-5H,6H2,1H3 |
InChI Key: | BANFRNTVKCHZDE-UHFFFAOYSA-N |
Boiling Point: | 263.927 °C at 760 mmHg |
Density: | 1.416 g/cm3 |
LogP: | 2.57260 |
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-2020167952-A1 | Mat2a inhibitors | 20190212 |
WO-2019201297-A1 | Benzopyrazole compound used as rho kinase inhibitor | 20180418 |
EP-3782987-A1 | Benzopyrazole compound used as rho kinase inhibitor | 20180418 |
WO-2018129556-A1 | Compounds and methods for inhibiting nhe-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders | 20170109 |
WO-2017214505-A1 | Ceramide galactosyltransferase inhibitors for the treatment of disease | 20160610 |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.98368 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.98368 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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