2-Bromo-1-(3,4-dichlorophenyl)propan-1-one - CAS 87427-61-0
Catalog: |
BB055264 |
Product Name: |
2-Bromo-1-(3,4-dichlorophenyl)propan-1-one |
CAS: |
87427-61-0 |
Synonyms: |
2-Bromo-1-(3,4-dichlorophenyl)propan-1-one; 2-bromo-3',4'-dichloropropiophenone; 1-Propanone, 2-bromo-1-(3,4-dichlorophenyl)-; 2-bromo-(3',4'-dichlorophenyl)propan-1-one |
IUPAC Name: | 2-bromo-1-(3,4-dichlorophenyl)propan-1-one |
Molecular Weight: | 281.96 |
Molecular Formula: | C9H7BrCl2O |
Canonical SMILES: | CC(C(=O)C1=CC(=C(C=C1)Cl)Cl)Br |
InChI: | InChI=1S/C9H7BrCl2O/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5H,1H3 |
InChI Key: | YPKHWACIODYBCI-UHFFFAOYSA-N |
Solubility: | DCM, Methanol |
Appearance: | Beige Solid |
Complexity: | 198 |
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: | 4.3 |
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