3-Fluoro-4-(4-methyl-1-piperazinyl)benzoic Acid - CAS 250683-76-2
Catalog: |
BB018724 |
Product Name: |
3-Fluoro-4-(4-methyl-1-piperazinyl)benzoic Acid |
CAS: |
250683-76-2 |
Synonyms: |
3-fluoro-4-(4-methyl-1-piperazinyl)benzoic acid; 3-fluoro-4-(4-methylpiperazin-1-yl)benzoic acid |
IUPAC Name: | 3-fluoro-4-(4-methylpiperazin-1-yl)benzoic acid |
Description: | 3-Fluoro-4-(4-methyl-1-piperazinyl)benzoic Acid (CAS# 250683-76-2) is a useful research chemical. |
Molecular Weight: | 238.26 |
Molecular Formula: | C12H15FN2O2 |
Canonical SMILES: | CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)F |
InChI: | InChI=1S/C12H15FN2O2/c1-14-4-6-15(7-5-14)11-3-2-9(12(16)17)8-10(11)13/h2-3,8H,4-7H2,1H3,(H,16,17) |
InChI Key: | JYHQNVGKXHJWKL-UHFFFAOYSA-N |
LogP: | 1.27860 |
Publication Number | Title | Priority Date |
EP-3240791-B1 | Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors | 20141230 |
EP-3623372-A1 | Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors | 20141230 |
US-2015269356-A1 | Libraries of compounds having desired properties and methods for making and using them | 20120922 |
US-9946847-B2 | Libraries of compounds having desired properties and methods for making and using them | 20120922 |
WO-2014047463-A2 | Libraries of compounds having desired properties and methods for making and using them | 20120922 |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.11175589 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.11175589 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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