2-Bromo-5-oxo-1-cyclopentene-1-heptanoic Acid Methyl Ester - CAS 107220-02-0
Catalog: |
BB071931 |
Product Name: |
2-Bromo-5-oxo-1-cyclopentene-1-heptanoic Acid Methyl Ester |
CAS: |
107220-02-0 |
Synonyms: |
2-Bromo-5-oxo-1-cyclopentene-1-heptanoic Acid Methyl Ester; Methyl 7-(2-bromo-5-oxocyclopenten-1-yl)heptanoate; Methyl 7-(2-bromo-5-oxocyclopent-1-en-1-yl)heptanoate |
IUPAC Name: | methyl 7-(2-bromo-5-oxocyclopenten-1-yl)heptanoate |
Molecular Weight: | 303.19 |
Molecular Formula: | C13H19BrO3 |
Canonical SMILES: | COC(=O)CCCCCCC1=C(CCC1=O)Br |
InChI: | InChI=1S/C13H19BrO3/c1-17-13(16)7-5-3-2-4-6-10-11(14)8-9-12(10)15/h2-9H2,1H3 |
InChI Key: | BCICYCCLIJPLMW-UHFFFAOYSA-N |
Solubility: | Chloroform, DCM, Methanol |
Appearance: | Pale Yellow Oil |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.05176 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.05176 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 43.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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