1-Boc-3-(3-chloropropyl)azetidine-3-carbonitrile - CAS 1384165-00-7
Catalog: |
BB008751 |
Product Name: |
1-Boc-3-(3-chloropropyl)azetidine-3-carbonitrile |
CAS: |
1384165-00-7 |
Synonyms: |
3-(3-chloropropyl)-3-cyano-1-azetidinecarboxylic acid tert-butyl ester; tert-butyl 3-(3-chloropropyl)-3-cyanoazetidine-1-carboxylate |
IUPAC Name: | tert-butyl 3-(3-chloropropyl)-3-cyanoazetidine-1-carboxylate |
Description: | 1-Boc-3-(3-chloropropyl)azetidine-3-carbonitrile (CAS# 1384165-00-7 ) is a useful research chemical. |
Molecular Weight: | 258.74 |
Molecular Formula: | C12H19ClN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(C1)(CCCCl)C#N |
InChI: | InChI=1S/C12H19ClN2O2/c1-11(2,3)17-10(16)15-8-12(7-14,9-15)5-4-6-13/h4-6,8-9H2,1-3H3 |
InChI Key: | CISUTKJHLHWZCQ-UHFFFAOYSA-N |
LogP: | 2.70398 |
Publication Number | Title | Priority Date |
EP-2895488-A1 | Tricyclic gyrase inhibitors for use as antibacterial agents | 20120912 |
JP-2015528502-A | Tricyclic gyrase inhibitors for use as antibacterial agents | 20120912 |
JP-6460991-B2 | Tricyclic gyrase inhibitors for use as antibacterial agents | 20120912 |
TW-201425314-A | Tricyclic gyrase inhibitor | 20120912 |
TW-I639602-B | Tricyclic gyrase inhibitor | 20120912 |
Complexity: | 334 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.1135055 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.1135055 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 53.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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