3,4-Dibenzyloxy-trans-β-nitrostyrene - CAS 1699-54-3
Catalog: |
BB012589 |
Product Name: |
3,4-Dibenzyloxy-trans-β-nitrostyrene |
CAS: |
1699-54-3 |
Synonyms: |
4-[(E)-2-nitroethenyl]-1,2-bis(phenylmethoxy)benzene |
IUPAC Name: | 4-[(E)-2-nitroethenyl]-1,2-bis(phenylmethoxy)benzene |
Description: | 3,4-Dibenzyloxy-trans-β-nitrostyrene (CAS# 1699-54-3 ) is a useful research chemical. |
Molecular Weight: | 361.39 |
Molecular Formula: | C22H19NO4 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C[N+](=O)[O-])OCC3=CC=CC=C3 |
InChI: | InChI=1S/C22H19NO4/c24-23(25)14-13-18-11-12-21(26-16-19-7-3-1-4-8-19)22(15-18)27-17-20-9-5-2-6-10-20/h1-15H,16-17H2/b14-13+ |
InChI Key: | CHTJRVASYXOBSO-BUHFOSPRSA-N |
Boiling Point: | 542.3 °C at 760 mmHg |
Density: | 1.22 g/cm3 |
MDL: | MFCD00192861 |
LogP: | 5.61520 |
GHS Hazard Statement: | H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P273, P280, P305+P351+P338, P310, P391, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-110690419-A | Transition metal chalcogenide composite material and preparation method and application thereof | 20190910 |
CN-110690419-B | Transition metal chalcogenide composite material and preparation method and application thereof | 20190910 |
JP-5421238-B2 | MMP inhibitor | 20080313 |
JP-WO2009113320-A1 | MMP inhibitor | 20080313 |
WO-2009113320-A1 | Mmp inhibitor | 20080313 |
Complexity: | 463 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 361.13140809 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 361.13140809 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 64.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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