Ethyl 4-Bromo-3-cyclohexenecarboxylate - CAS 1365272-96-3
Catalog: |
BB008370 |
Product Name: |
Ethyl 4-Bromo-3-cyclohexenecarboxylate |
CAS: |
1365272-96-3 |
Synonyms: |
4-bromo-1-cyclohex-3-enecarboxylic acid ethyl ester; ethyl 4-bromocyclohex-3-ene-1-carboxylate |
IUPAC Name: | ethyl 4-bromocyclohex-3-ene-1-carboxylate |
Description: | Ethyl 4-Bromo-3-cyclohexenecarboxylate (CAS# 1365272-96-3) is a useful research chemical. |
Molecular Weight: | 233.10 |
Molecular Formula: | C9H13BrO2 |
Canonical SMILES: | CCOC(=O)C1CCC(=CC1)Br |
InChI: | InChI=1S/C9H13BrO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h5,7H,2-4,6H2,1H3 |
InChI Key: | JMGPAKUOUAFRNQ-UHFFFAOYSA-N |
LogP: | 2.62840 |
Publication Number | Title | Priority Date |
WO-2021046636-A1 | Cannabinoid derivatives, precursors and uses | 20190909 |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.00989 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.00989 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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