Ethyl 1-(3-bromo-2-cyanophenyl)piperidine-4-carboxylate - CAS 1260897-03-7
Catalog: |
BB065847 |
Product Name: |
Ethyl 1-(3-bromo-2-cyanophenyl)piperidine-4-carboxylate |
CAS: |
1260897-03-7 |
Synonyms: |
ETHYL 1-(3-BROMO-2-CYANOPHENYL)PIPERIDINE-4-CARBOXYLATE; ETHYL1-(3-BROMO-2-CYANOPHENYL)PIPERIDINE-4-CARBOXYLATE |
IUPAC Name: | ethyl 1-(3-bromo-2-cyanophenyl)piperidine-4-carboxylate |
Description: | Ethyl 1-(3-bromo-2-cyanophenyl)piperidine-4-carboxylate |
Molecular Weight: | 337.21 |
Molecular Formula: | C15H17BrN2O2 |
Canonical SMILES: | CCOC(=O)C1CCN(CC1)C2=C(C(=CC=C2)Br)C#N |
InChI: | InChI=1S/C15H17BrN2O2/c1-2-20-15(19)11-6-8-18(9-7-11)14-5-3-4-13(16)12(14)10-17/h3-5,11H,2,6-9H2,1H3 |
InChI Key: | ZSFMRRYGQRABPI-UHFFFAOYSA-N |
Complexity: | 385 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 336.04734 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 336.04734 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 53.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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