α-Bromo-5,6,7,8-tetrahydro-1-naphthalenepropanoic Acid Methyl Ester - CAS 1282589-52-9
Catalog: |
BB055291 |
Product Name: |
α-Bromo-5,6,7,8-tetrahydro-1-naphthalenepropanoic Acid Methyl Ester |
CAS: |
1282589-52-9 |
Synonyms: |
alpha-Bromo-5,6,7,8-tetrahydro-1-naphthalenepropanoic Acid Methyl Ester; methyl 2-bromo-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanoate |
IUPAC Name: | methyl 2-bromo-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanoate |
Description: | α-Bromo-5,6,7,8-tetrahydro-1-naphthalenepropanoic Acid Methyl Ester, can be used in the synthesis of more complex pharmaceutical compounds. |
Molecular Weight: | 297.19 |
Molecular Formula: | C14H17BrO2 |
Canonical SMILES: | COC(=O)C(CC1=CC=CC2=C1CCCC2)Br |
InChI: | InChI=1S/C14H17BrO2/c1-17-14(16)13(15)9-11-7-4-6-10-5-2-3-8-12(10)11/h4,6-7,13H,2-3,5,8-9H2,1H3 |
InChI Key: | MIQJJTWRSGXIJG-UHFFFAOYSA-N |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.04119 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.04119 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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