4-Bromocinnamic acid, predominantly trans - CAS 1200-07-3
Catalog: |
BB004696 |
Product Name: |
4-Bromocinnamic acid, predominantly trans |
CAS: |
1200-07-3 |
Synonyms: |
(E)-3-(4-bromophenyl)prop-2-enoic acid |
IUPAC Name: | (E)-3-(4-bromophenyl)prop-2-enoic acid |
Description: | 4-Bromocinnamic acid, predominantly trans (CAS# 1200-07-3) is a compound useful in organic synthesis. |
Molecular Weight: | 227.05 |
Molecular Formula: | C9H7BrO2 |
Canonical SMILES: | C1=CC(=CC=C1C=CC(=O)O)Br |
InChI: | InChI=1S/C9H7BrO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+ |
InChI Key: | CPDDDTNAMBSPRN-ZZXKWVIFSA-N |
Boiling Point: | 344.9 °C at 760 mmHg |
Melting Point: | 262-264 °C |
Purity: | 98 % |
Density: | 1.607 g/cm3 |
Appearance: | Whie solid |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00004394 |
LogP: | 2.54690 |
GHS Hazard Statement: | H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
15125954 | 20040607 | Structure-activity relationships of trans-cinnamic acid derivatives on alpha-glucosidase inhibition | Bioorganic & medicinal chemistry letters |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 225.96294 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.96294 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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