4-[(3-Methyl-3-oxetanyl)methoxy]-2-nitroaniline - CAS 816463-36-2
Catalog: |
BB036687 |
Product Name: |
4-[(3-Methyl-3-oxetanyl)methoxy]-2-nitroaniline |
CAS: |
816463-36-2 |
Synonyms: |
4-[(3-methyl-3-oxetanyl)methoxy]-2-nitroaniline; 4-[(3-methyloxetan-3-yl)methoxy]-2-nitroaniline |
IUPAC Name: | 4-[(3-methyloxetan-3-yl)methoxy]-2-nitroaniline |
Description: | 4-[(3-Methyl-3-oxetanyl)methoxy]-2-nitroaniline (CAS# 816463-36-2 ) is a useful research chemical. |
Molecular Weight: | 238.24 |
Molecular Formula: | C11H14N2O4 |
Canonical SMILES: | CC1(COC1)COC2=CC(=C(C=C2)N)[N+](=O)[O-] |
InChI: | InChI=1S/C11H14N2O4/c1-11(5-16-6-11)7-17-8-2-3-9(12)10(4-8)13(14)15/h2-4H,5-7,12H2,1H3 |
InChI Key: | XQYDJANMTIYABZ-UHFFFAOYSA-N |
LogP: | 2.69670 |
Publication Number | Title | Priority Date |
CN-107382983-B | Synthesis method of medicine for treating leukemia | 20170824 |
CA-2731368-A1 | 6 substituted 2-heterocyclylamino pyrazine compounds as chk-1 inhibitors | 20080806 |
CA-2731368-C | 6 substituted 2-heterocyclylamino pyrazine compounds as chk-1 inhibitors | 20080806 |
EP-2328890-A1 | 6 substituted 2-heterocyclylamino pyrazine compounds as chk-1 inhibitors | 20080806 |
EP-2328890-B1 | 6 substituted 2-heterocyclylamino pyrazine compounds as chk-1 inhibitors | 20080806 |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.09535693 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.09535693 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 90.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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