1-Bromo-3-isopentanoylbenzene - CAS 857803-65-7
Catalog: |
BB071414 |
Product Name: |
1-Bromo-3-isopentanoylbenzene |
CAS: |
857803-65-7 |
Synonyms: |
1-(3-Bromophenyl)-3-methylbutan-1-one; 1-Bromo-3-isopentanoylbenzene; 1-(3-Bromophenyl)-3-methyl-1-butanone |
IUPAC Name: | 1-(3-bromophenyl)-3-methylbutan-1-one |
Description: | 1-Bromo-3-isopentanoylbenzene |
Molecular Weight: | 241.12 |
Molecular Formula: | C11H13BrO |
Canonical SMILES: | CC(C)CC(=O)C1=CC(=CC=C1)Br |
InChI: | InChI=1S/C11H13BrO/c1-8(2)6-11(13)9-4-3-5-10(12)7-9/h3-5,7-8H,6H2,1-2H3 |
InChI Key: | YVWRKWALPWQASN-UHFFFAOYSA-N |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.01498 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.01498 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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