1-[[(5-Chloropentyl)oxy]methyl]benzene-4-D - CAS 2122800-04-6
Catalog: |
BB016712 |
Product Name: |
1-[[(5-Chloropentyl)oxy]methyl]benzene-4-D |
CAS: |
2122800-04-6 |
Synonyms: |
5-chloropentoxymethylbenzene; 5-chloropentoxymethylbenzene |
IUPAC Name: | 5-chloropentoxymethylbenzene |
Description: | 1-[[(5-Chloropentyl)oxy]methyl]benzene-4-D (CAS# 2122800-04-6 ) is a useful research chemical. |
Molecular Weight: | 213.72 |
Molecular Formula: | C12H16ClOD |
Canonical SMILES: | C1=CC=C(C=C1)COCCCCCCl |
InChI: | InChI=1S/C12H17ClO/c13-9-5-2-6-10-14-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2 |
InChI Key: | NFKHVAANLLONKQ-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
EP-2913333-A1 | 3H-thieno[3,4]pyrimidin-4-one and pyrrolopyrimidone as gram-positive antibacterial agents | 20140227 |
WO-2015128334-A1 | 3h-thieno[3,4]pyrimidin-4-oneand pyrrolopyrimid-4-one as gram-positive antibacterial agents | 20140227 |
WO-2015128334-A9 | 3h-thieno[3,4]pyrimidin-4-oneand pyrrolopyrimid-4-one as gram-positive antibacterial agents | 20140227 |
TW-200815376-A | Tricyclic compound and pharmaceutical use thereof | 20060619 |
TW-I402261-B | Tricyclic compound and its pharmaceutical composition | 20060619 |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.0967929 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.0967929 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 9.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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