3'-Amino-4'-chloroacetophenone - CAS 79406-57-8
Catalog: |
BB036340 |
Product Name: |
3'-Amino-4'-chloroacetophenone |
CAS: |
79406-57-8 |
Synonyms: |
1-(3-amino-4-chlorophenyl)ethanone; 1-(3-amino-4-chlorophenyl)ethanone |
IUPAC Name: | 1-(3-amino-4-chlorophenyl)ethanone |
Description: | 3'-Amino-4'-chloroacetophenone (CAS# 79406-57-8) is a useful reactant for the synthesis of 2-thiazolidinones as BRD4 inhibitors. |
Molecular Weight: | 169.61 |
Molecular Formula: | C8H8ClNO |
Canonical SMILES: | CC(=O)C1=CC(=C(C=C1)Cl)N |
InChI: | InChI=1S/C8H8ClNO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,10H2,1H3 |
InChI Key: | CELXPDXOZXEXJX-UHFFFAOYSA-N |
Boiling Point: | 322.4 °C at 760 mmHg |
Density: | 1.254 g/cm3 |
MDL: | MFCD00122619 |
LogP: | 2.70600 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2015031824-A1 | Cyclic vinylogous amides as bromodomain inhibitors | 20130830 |
JP-2015034158-A | Hydrazide compound and its use for pest control | 20130708 |
WO-2015005408-A1 | Hydrazide compound, and use thereof for controlling harmful arthropods | 20130708 |
CN-103562178-A | Method of manufacturing isoxazoline compound | 20110603 |
CN-103619806-A | Method for producing isoxazoline compound | 20110603 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.0294416 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.0294416 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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