Ethyl trans-4-bromocinnamate - CAS 24393-53-1
Catalog: |
BB018456 |
Product Name: |
Ethyl trans-4-bromocinnamate |
CAS: |
24393-53-1 |
Synonyms: |
ethyl (E)-3-(4-bromophenyl)prop-2-enoate |
IUPAC Name: | ethyl (E)-3-(4-bromophenyl)prop-2-enoate |
Description: | Ethyl trans-4-bromocinnamate (CAS# 24393-53-1) is a useful research chemical. |
Molecular Weight: | 255.11 |
Molecular Formula: | C11H11BrO2 |
Canonical SMILES: | CCOC(=O)C=CC1=CC=C(C=C1)Br |
InChI: | InChI=1S/C11H11BrO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2H2,1H3/b8-5+ |
InChI Key: | YOOKYIPLSLPRTC-VMPITWQZSA-N |
Boiling Point: | 180 °C (18 torr) |
Purity: | 98 % |
Density: | 1.359 g/mL at 25 °C (lit.) |
Appearance: | Clear yellow liquid |
MDL: | MFCD00012226 |
LogP: | 3.02540 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2019308985-A1 | Methods for making bacteriochlorin macrocycles comprising an annulated isocyclic ring and related compounds | 20161130 |
WO-2018102252-A1 | Methods for making bacteriochlorin macrocycles comprising an annulated isocyclic ring and related compounds | 20161130 |
US-10836774-B2 | Methods for making bacteriochlorin macrocycles comprising an annulated isocyclic ring and related compounds | 20161130 |
CA-3018185-A1 | Allosteric modulators of nicotinic acetylcholine receptors | 20160322 |
JP-2019512508-A | Allosteric modulators of nicotinic acetylcholine receptor | 20160322 |
Complexity: | 205 |
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: | 4 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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