2'-Amino-4',5'-dichloroacetophenone - CAS 6951-70-8
Catalog: |
BB074857 |
Product Name: |
2'-Amino-4',5'-dichloroacetophenone |
CAS: |
6951-70-8 |
Synonyms: |
1-(2-amino-4,5-dichlorophenyl)ethanone; 1-(2-amino-4,5-dichlorophenyl)ethan-1-one; 2'-Amino-4',5'-dichloroacetophenone |
IUPAC Name: | 1-(2-amino-4,5-dichlorophenyl)ethanone |
Molecular Weight: | 204.05 |
Molecular Formula: | C8H7Cl2NO |
Canonical SMILES: | CC(=O)C1=CC(=C(C=C1N)Cl)Cl |
InChI: | InChI=1S/C8H7Cl2NO/c1-4(12)5-2-6(9)7(10)3-8(5)11/h2-3H,11H2,1H3 |
InChI Key: | BADCOFLZDWJCOV-UHFFFAOYSA-N |
References: | Broutin, P., et al. Tetrahedron Lett., 44, 6429 (2003); Nittoli, T., et al. J. Med. Chem., 50, 6920 (2007). |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.9904692 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.9904692 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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