(3E)-4-(3-Bromo-4-ethoxyphenyl)but-3-en-2-one - CAS 1393444-15-9
Catalog: |
BB071445 |
Product Name: |
(3E)-4-(3-Bromo-4-ethoxyphenyl)but-3-en-2-one |
CAS: |
1393444-15-9 |
Synonyms: |
(3E)-4-(3-Bromo-4-ethoxyphenyl)but-3-en-2-one; (E)-4-(3-bromo-4-ethoxyphenyl)but-3-en-2-one |
IUPAC Name: | (E)-4-(3-bromo-4-ethoxyphenyl)but-3-en-2-one |
Description: | (3E)-4-(3-Bromo-4-ethoxyphenyl)but-3-en-2-one |
Molecular Weight: | 269.13 |
Molecular Formula: | C12H13BrO2 |
Canonical SMILES: | CCOC1=C(C=C(C=C1)C=CC(=O)C)Br |
InChI: | InChI=1S/C12H13BrO2/c1-3-15-12-7-6-10(8-11(12)13)5-4-9(2)14/h4-8H,3H2,1-2H3/b5-4+ |
InChI Key: | CIZZFFZWNQBQGJ-SNAWJCMRSA-N |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 268.00989 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.00989 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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