2-Bromo-1-(3,5-dichlorophenyl)-1-propanone - CAS 92821-91-5
Catalog: |
BB070701 |
Product Name: |
2-Bromo-1-(3,5-dichlorophenyl)-1-propanone |
CAS: |
92821-91-5 |
Synonyms: |
(±)-2-Bromo-1-(3,5-dichlorophenyl)-1-propanone |
IUPAC Name: | 2-bromo-1-(3,5-dichlorophenyl)propan-1-one |
Molecular Weight: | 281.96 |
Molecular Formula: | C9H7BrCl2O |
Canonical SMILES: | CC(C(=O)C1=CC(=CC(=C1)Cl)Cl)Br |
InChI: | InChI=1S/C9H7BrCl2O/c1-5(10)9(13)6-2-7(11)4-8(12)3-6/h2-5H,1H3 |
InChI Key: | GNIPVINPPLXVNW-UHFFFAOYSA-N |
References: | Carroll, F.I. et al. J. Med. Chem., 52, 6768 (2009). |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.90573 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 279.90573 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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