4-Bromo-3-methoxycinnamic acid - CAS 924271-33-0
Catalog: |
BB071404 |
Product Name: |
4-Bromo-3-methoxycinnamic acid |
CAS: |
924271-33-0 |
Synonyms: |
4-Bromo-3-methoxycinnamic acid; 3-(4-Bromo-3-methoxyphenyl)acrylic acid; (E)-3-(4-bromo-3-methoxyphenyl)prop-2-enoic acid; 3-(4-Bromo-3-methoxyphenyl)acrylicacid |
IUPAC Name: | (E)-3-(4-bromo-3-methoxyphenyl)prop-2-enoic acid |
Description: | 4-Bromo-3-methoxycinnamic acid |
Molecular Weight: | 257.08 |
Molecular Formula: | C10H9BrO3 |
Canonical SMILES: | COC1=C(C=CC(=C1)C=CC(=O)O)Br |
InChI: | InChI=1S/C10H9BrO3/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-3+ |
InChI Key: | NZBZIWVGKOEFAF-HWKANZROSA-N |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 255.97351 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.97351 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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