3'-Bromo-5'-methylacetophenone - CAS 1379325-64-0
Catalog: |
BB071880 |
Product Name: |
3'-Bromo-5'-methylacetophenone |
CAS: |
1379325-64-0 |
Synonyms: |
1-(3-Bromo-5-methylphenyl)ethanone; 1-(3-bromo-5-methylphenyl)ethan-1-one; 3'-Bromo-5'-methylacetophenone; Ethanone, 1-(3-bromo-5-methylphenyl)- |
IUPAC Name: | 1-(3-bromo-5-methylphenyl)ethanone |
Molecular Weight: | 213.07 |
Molecular Formula: | C9H9BrO |
Canonical SMILES: | CC1=CC(=CC(=C1)Br)C(=O)C |
InChI: | InChI=1S/C9H9BrO/c1-6-3-8(7(2)11)5-9(10)4-6/h3-5H,1-2H3 |
InChI Key: | QDCCNYXYTIETKO-UHFFFAOYSA-N |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.98368 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.98368 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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