3-Benzyloxy-trans-β-nitrostyrene - CAS 24550-32-1
Catalog: |
BB018522 |
Product Name: |
3-Benzyloxy-trans-β-nitrostyrene |
CAS: |
24550-32-1 |
Synonyms: |
1-[(Z)-2-nitroethenyl]-3-phenylmethoxybenzene |
IUPAC Name: | 1-[(E)-2-nitroethenyl]-3-phenylmethoxybenzene |
Description: | 3-Benzyloxy-trans-β-nitrostyrene (CAS# 24550-32-1 ) is a useful research chemical. |
Molecular Weight: | 255.27 |
Molecular Formula: | C15H13NO3 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC=CC(=C2)C=C[N+](=O)[O-] |
InChI: | InChI=1S/C15H13NO3/c17-16(18)10-9-13-7-4-8-15(11-13)19-12-14-5-2-1-3-6-14/h1-11H,12H2/b10-9- |
InChI Key: | XFBMDILDMJAPDU-KTKRTIGZSA-N |
Boiling Point: | 417.8 °C at 760 mmHg |
Density: | 1.207 g/cm3 |
MDL: | MFCD02026550 |
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 |
JP-5421238-B2 | MMP inhibitor | 20080313 |
JP-WO2009113320-A1 | MMP inhibitor | 20080313 |
WO-2009113320-A1 | Mmp inhibitor | 20080313 |
AU-2008311355-A1 | Substituted biphenyl GPR40 modulators | 20071010 |
AU-2008311355-B2 | Substituted biphenyl GPR40 modulators | 20071010 |
Complexity: | 305 |
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: | 3.9 |
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