4'-Amino-2'-chloroacetophenone - CAS 72531-23-8
Catalog: |
BB034642 |
Product Name: |
4'-Amino-2'-chloroacetophenone |
CAS: |
72531-23-8 |
Synonyms: |
1-(4-amino-2-chlorophenyl)ethanone; 1-(4-amino-2-chlorophenyl)ethanone |
IUPAC Name: | 1-(4-amino-2-chlorophenyl)ethanone |
Description: | 4'-Amino-2'-chloroacetophenone (CAS# 72531-23-8) is a useful research chemical. |
Molecular Weight: | 169.61 |
Molecular Formula: | C8H8ClNO |
Canonical SMILES: | CC(=O)C1=C(C=C(C=C1)N)Cl |
InChI: | InChI=1S/C8H8ClNO/c1-5(11)7-3-2-6(10)4-8(7)9/h2-4H,10H2,1H3 |
InChI Key: | SFWDKRVMIBKYQK-UHFFFAOYSA-N |
Boiling Point: | 304.1 ℃ at 760 mmHg |
Density: | 1.254 g/cm3 |
LogP: | 2.70600 |
Publication Number | Title | Priority Date |
GB-2548542-A | Compounds | 20150616 |
US-10081617-B2 | Factor XIa inhibitors | 20150416 |
US-2018079743-A1 | FACTOR XIa INHIBITORS | 20150416 |
CA-2978627-A1 | Srebp blockers for use in treating liver fibrosis, elevated cholesterol and insulin resistance | 20150304 |
EP-3265088-A1 | Srebp blockers for use in treating liver fibrosis, elevated cholesterol and insulin resistance | 20150304 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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