2-Bromo-1-(3,5-dichlorophenyl)ethanone - CAS 53631-13-3
Catalog: |
BB071799 |
Product Name: |
2-Bromo-1-(3,5-dichlorophenyl)ethanone |
CAS: |
53631-13-3 |
Synonyms: |
2-BROMO-1-(3,5-DICHLOROPHENYL)ETHANONE; Ethanone, 2-bromo-1-(3,5-dichlorophenyl)-; 2-Bromo-1-(3,5-dichlorophenyl)ethan-1-one; Ethanone, 2-broMo-1-(3,5-dichlorophenyl)- (Related Reference); 2-bromo-3',5'-dichloroacetophenone |
IUPAC Name: | 2-bromo-1-(3,5-dichlorophenyl)ethanone |
Molecular Weight: | 267.94 |
Molecular Formula: | C8H5BrCl2O |
Canonical SMILES: | C1=C(C=C(C=C1Cl)Cl)C(=O)CBr |
InChI: | InChI=1S/C8H5BrCl2O/c9-4-8(12)5-1-6(10)3-7(11)2-5/h1-3H,4H2 |
InChI Key: | NVDAJLDRUMPXDY-UHFFFAOYSA-N |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.89008 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.89008 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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