2-Benzyloxy-trans-β-nitrostyrene - CAS 40276-09-3
Catalog: |
BB024416 |
Product Name: |
2-Benzyloxy-trans-β-nitrostyrene |
CAS: |
40276-09-3 |
Synonyms: |
1-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene |
IUPAC Name: | 1-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene |
Description: | 2-Benzyloxy-trans-β-nitrostyrene (CAS# 40276-09-3 ) is a useful research chemical. |
Molecular Weight: | 255.27 |
Molecular Formula: | C15H13NO3 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC=CC=C2C=C[N+](=O)[O-] |
InChI: | InChI=1S/C15H13NO3/c17-16(18)11-10-14-8-4-5-9-15(14)19-12-13-6-2-1-3-7-13/h1-11H,12H2/b11-10+ |
InChI Key: | SQPQKZLZYZFJBK-ZHACJKMWSA-N |
Boiling Point: | 413.9 °C at 760 mmHg |
Density: | 1.207 g/cm3 |
MDL: | MFCD00666927 |
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 |
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: | 2.8 |
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