4-Chloromethylstilbene, predominantly trans - CAS 150253-59-1
Catalog: |
BB010508 |
Product Name: |
4-Chloromethylstilbene, predominantly trans |
CAS: |
150253-59-1 |
Synonyms: |
1-(chloromethyl)-4-(2-phenylethenyl)benzene |
IUPAC Name: | 1-(chloromethyl)-4-[(E)-2-phenylethenyl]benzene |
Description: | 4-Chloromethylstilbene, predominantly trans (CAS# 150253-59-1 ) is a useful research chemical. |
Molecular Weight: | 228.72 |
Molecular Formula: | C15H13Cl |
Canonical SMILES: | C1=CC=C(C=C1)C=CC2=CC=C(C=C2)CCl |
InChI: | InChI=1S/C15H13Cl/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11H,12H2 |
InChI Key: | IWJQBYQAGGHNAB-UHFFFAOYSA-N |
Boiling Point: | 353.1 °C at 760 mmHg |
Density: | 1.141 g/cm3 |
Appearance: | White to tan powder or crystals |
MDL: | MFCD00009921 |
LogP: | 4.59580 |
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-2009226398-A1 | Anti-viral compounds, compositions, and methods of use | 20080304 |
WO-2009111501-A1 | Derivatives of imidazo [4, 5-d] pyridazine and their use as anti-viral compounds | 20080304 |
EP-2172450-A1 | Novel malonic acid sulfonamide derivative and pharmaceutical use thereof | 20070620 |
EP-2172450-B1 | Novel malonic acid sulfonamide derivative and pharmaceutical use thereof | 20070620 |
EP-2172450-B9 | Novel malonic acid sulfonamide derivative and pharmaceutical use thereof | 20070620 |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 228.0705781 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.0705781 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.2 |
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