(3E)-4-(3-Bromo-4-methoxyphenyl)but-3-en-2-one - CAS 1331560-65-6
Catalog: |
BB071381 |
Product Name: |
(3E)-4-(3-Bromo-4-methoxyphenyl)but-3-en-2-one |
CAS: |
1331560-65-6 |
Synonyms: |
(3E)-4-(3-Bromo-4-methoxyphenyl)but-3-en-2-one; (E)-4-(3-bromo-4-methoxyphenyl)but-3-en-2-one; 4-(3-Bromo-4-methoxyphenyl)but-3-en-2-one; 4-(3-Bromo-4-methoxyphenyl)-3-butene-2-one |
IUPAC Name: | (E)-4-(3-bromo-4-methoxyphenyl)but-3-en-2-one |
Description: | (3E)-4-(3-Bromo-4-methoxyphenyl)but-3-en-2-one |
Molecular Weight: | 255.11 |
Molecular Formula: | C11H11BrO2 |
Canonical SMILES: | CC(=O)C=CC1=CC(=C(C=C1)OC)Br |
InChI: | InChI=1S/C11H11BrO2/c1-8(13)3-4-9-5-6-11(14-2)10(12)7-9/h3-7H,1-2H3/b4-3+ |
InChI Key: | AOVJTAMOQFOZJZ-ONEGZZNKSA-N |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 253.99424 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.99424 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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