p-Bromophenacyl Lactate - CAS 99853-28-8
Catalog: |
BB072003 |
Product Name: |
p-Bromophenacyl Lactate |
CAS: |
99853-28-8 |
Synonyms: |
p-Bromophenacyl Lactate; [2-(4-Bromophenyl)-2-oxoethyl] 2-hydroxypropanoate; 2-(4-bromophenyl)-2-oxoethyl 2-hydroxypropanoate; 2-Hydroxypropionic acid 2-oxo-2-(4-bromophenyl)ethyl ester |
IUPAC Name: | [2-(4-bromophenyl)-2-oxoethyl] 2-hydroxypropanoate |
Molecular Weight: | 287.11 |
Molecular Formula: | C11H11BrO4 |
Canonical SMILES: | CC(C(=O)OCC(=O)C1=CC=C(C=C1)Br)O |
InChI: | InChI=1S/C11H11BrO4/c1-7(13)11(15)16-6-10(14)8-2-4-9(12)5-3-8/h2-5,7,13H,6H2,1H3 |
InChI Key: | OBXSUTQDQHWMOH-UHFFFAOYSA-N |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.98407 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.98407 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 63.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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