Methyl 3-Chloro-4-piperazinobenzoate - CAS 234082-16-7
Catalog: |
BB018043 |
Product Name: |
Methyl 3-Chloro-4-piperazinobenzoate |
CAS: |
234082-16-7 |
Synonyms: |
3-chloro-4-(1-piperazinyl)benzoic acid methyl ester; methyl 3-chloro-4-piperazin-1-ylbenzoate |
IUPAC Name: | methyl 3-chloro-4-piperazin-1-ylbenzoate |
Description: | Methyl 3-Chloro-4-piperazinobenzoate (CAS# 234082-16-7) is a useful research chemical. |
Molecular Weight: | 254.71 |
Molecular Formula: | C12H15ClN2O2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)N2CCNCC2)Cl |
InChI: | InChI=1S/C12H15ClN2O2/c1-17-12(16)9-2-3-11(10(13)8-9)15-6-4-14-5-7-15/h2-3,8,14H,4-7H2,1H3 |
InChI Key: | YXNWWDUBAHLVBO-UHFFFAOYSA-N |
LogP: | 1.93000 |
Publication Number | Title | Priority Date |
WO-2021079962-A1 | Pharmaceutical composition for prevention and/or treatment of hearing loss | 20191024 |
WO-2019208812-A1 | Benzisoxazole compound | 20180427 |
CN-112204017-A | Benzisoxazole compounds | 20180427 |
EP-3789383-A1 | Benzisoxazole compound | 20180427 |
US-2021238171-A1 | Benzisoxazole compound | 20180427 |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.0822054 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.0822054 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 41.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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