1-Boc-3-fluoro-4-piperidinone Hydrate - CAS 1955548-89-6
Catalog: |
BB015135 |
Product Name: |
1-Boc-3-fluoro-4-piperidinone Hydrate |
CAS: |
1955548-89-6 |
Synonyms: |
3-fluoro-4-oxo-1-piperidinecarboxylic acid tert-butyl ester;hydrate; tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;hydrate |
IUPAC Name: | tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;hydrate |
Description: | 1-Boc-3-fluoro-4-piperidinone Hydrate (CAS# 1955548-89-6 ) is a useful research chemical. |
Molecular Weight: | 235.25 |
Molecular Formula: | C10H18FNO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(=O)C(C1)F.O |
InChI: | InChI=1S/C10H16FNO3.H2O/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12;/h7H,4-6H2,1-3H3;1H2 |
InChI Key: | VZJUORFVYPQUAN-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 272 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.12198622 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.12198622 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 47.6 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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