2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene - CAS 937273-31-9
Catalog: |
BB041050 |
Product Name: |
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene |
CAS: |
937273-31-9 |
Synonyms: |
1-(2-chloroethoxy)-4-nitro-2-(prop-2-enoxymethyl)benzene; 1-(2-chloroethoxy)-4-nitro-2-(prop-2-enoxymethyl)benzene |
IUPAC Name: | 1-(2-chloroethoxy)-4-nitro-2-(prop-2-enoxymethyl)benzene |
Description: | 2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene (CAS# 937273-31-9 ) is a useful research chemical. |
Molecular Weight: | 271.70 |
Molecular Formula: | C12H14ClNO4 |
Canonical SMILES: | C=CCOCC1=C(C=CC(=C1)[N+](=O)[O-])OCCCl |
InChI: | InChI=1S/C12H14ClNO4/c1-2-6-17-9-10-8-11(14(15)16)3-4-12(10)18-7-5-13/h2-4,8H,1,5-7,9H2 |
InChI Key: | LQGMNQQLHCLEQT-UHFFFAOYSA-N |
LogP: | 3.43820 |
Publication Number | Title | Priority Date |
WO-2008140419-A2 | Pyridyl substituted pyrimidine derivatives | 20070515 |
WO-2008140421-A2 | Heterocycloalkyl substituted pyrimidine derivatives | 20070515 |
WO-2008060248-A1 | Indole sustituted pyrimidines and use thereof in the treatment of cancer | 20061115 |
EP-1951729-A1 | Oxygen linked pyrimidine derivatives | 20051116 |
EP-1951729-B1 | Oxygen linked pyrimidine derivatives | 20051116 |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.0611356 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.0611356 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 64.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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