Methyl 2-Chloro-4-(4-methyl-1-piperazinyl)benzoate - CAS 1059705-62-2
Catalog: |
BB001747 |
Product Name: |
Methyl 2-Chloro-4-(4-methyl-1-piperazinyl)benzoate |
CAS: |
1059705-62-2 |
Synonyms: |
2-chloro-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester; methyl 2-chloro-4-(4-methylpiperazin-1-yl)benzoate |
IUPAC Name: | methyl 2-chloro-4-(4-methylpiperazin-1-yl)benzoate |
Description: | Methyl 2-Chloro-4-(4-methyl-1-piperazinyl)benzoate (CAS# 1059705-62-2 ) is a useful research chemical. |
Molecular Weight: | 268.74 |
Molecular Formula: | C13H17ClN2O2 |
Canonical SMILES: | CN1CCN(CC1)C2=CC(=C(C=C2)C(=O)OC)Cl |
InChI: | InChI=1S/C13H17ClN2O2/c1-15-5-7-16(8-6-15)10-3-4-11(12(14)9-10)13(17)18-2/h3-4,9H,5-8H2,1-2H3 |
InChI Key: | IZOWVEYIEHNRMX-UHFFFAOYSA-N |
LogP: | 1.88130 |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.0978555 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.0978555 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 32.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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