4-Benzyloxy-trans-β-nitrostyrene - CAS 2982-55-0
Catalog: |
BB020340 |
Product Name: |
4-Benzyloxy-trans-β-nitrostyrene |
CAS: |
2982-55-0 |
Synonyms: |
1-[(E)-2-nitroethenyl]-4-phenylmethoxybenzene |
IUPAC Name: | 1-[(E)-2-nitroethenyl]-4-phenylmethoxybenzene |
Description: | 4-Benzyloxy-trans-β-nitrostyrene (CAS# 2982-55-0) is a useful research chemical compound. |
Molecular Weight: | 255.27 |
Molecular Formula: | C15H13NO3 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C[N+](=O)[O-] |
InChI: | InChI=1S/C15H13NO3/c17-16(18)11-10-13-6-8-15(9-7-13)19-12-14-4-2-1-3-5-14/h1-11H,12H2/b11-10+ |
InChI Key: | MSDHJAWQEZOXGV-ZHACJKMWSA-N |
Boiling Point: | 427.9 °C at 760 mmHg |
Density: | 1.207 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00110753 |
LogP: | 4.03620 |
GHS Hazard Statement: | H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P280, P305+P351+P338, and P310 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020247804-A1 | Heterocycle substituted pyridine derivative antifungal agents | 20190607 |
AU-2018379077-A1 | Heterocycle substituted pyridine derivative antifungal agents | 20171207 |
WO-2019113542-A1 | Heterocycle substituted pyridine derivative antifungal agents | 20171207 |
BR-112020011162-A2 | heterocycle-substituted pyridine-derived antifungal agents | 20171207 |
CA-3084298-A1 | Heterocycle substituted pyridine derivative antifungal agents | 20171207 |
Complexity: | 297 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 255.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.08954328 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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