CAS
93663-71-9 Purity
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93663-71-9 Purity
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N-Boc-7-bromo-4-oxo-3,4-dihydro-1''h-spiro[chromene-2,4''-piperidine]
CAS
936648-38-3
Catalog Number
ACM936648383
Category
Other Products
Molecular Weight
396.279
Molecular Formula
C18H22BrNO4
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Specification
Synonyms
N-BOC-7-BROMO-4-OXO-3,4-DIHYDRO-1''H-SPIRO[CHROMENE-2,4''-PIPERIDINE]
What is the molecular formula of N-Boc-7-bromo-4-oxo-3,4-dihydro-1''h-spiro[chromene-2,4''-piperidine]?
The molecular formula is C18H22BrNO4.
When was N-Boc-7-bromo-4-oxo-3,4-dihydro-1''h-spiro[chromene-2,4''-piperidine] created on PubChem?
It was created on 2009-05-28.
What is the IUPAC name of N-Boc-7-bromo-4-oxo-3,4-dihydro-1''h-spiro[chromene-2,4''-piperidine]?
The IUPAC name is tert-butyl 7-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate.
What is the canonical SMILES notation for N-Boc-7-bromo-4-oxo-3,4-dihydro-1''h-spiro[chromene-2,4''-piperidine]?
The canonical SMILES notation is CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)C3=C(O2)C=C(C=C3)Br.
How many hydrogen bond acceptors are there in N-Boc-7-bromo-4-oxo-3,4-dihydro-1''h-spiro[chromene-2,4''-piperidine]?
There are 4 hydrogen bond acceptors.
What is the topological polar surface area of N-Boc-7-bromo-4-oxo-3,4-dihydro-1''h-spiro[chromene-2,4''-piperidine]?
The topological polar surface area is 55.8 Ų.
Is N-Boc-7-bromo-4-oxo-3,4-dihydro-1''h-spiro[chromene-2,4''-piperidine] a canonicalized compound?
Yes, it is a canonicalized compound.
What is the molecular weight of N-Boc-7-bromo-4-oxo-3,4-dihydro-1''h-spiro[chromene-2,4''-piperidine]?
The molecular weight is 396.3 g/mol.
How many rotatable bonds are there in N-Boc-7-bromo-4-oxo-3,4-dihydro-1''h-spiro[chromene-2,4''-piperidine]?
There are 2 rotatable bonds.
What is the InChIKey for N-Boc-7-bromo-4-oxo-3,4-dihydro-1''h-spiro[chromene-2,4''-piperidine]?
The InChIKey is MNQOBNLVPNTHAT-UHFFFAOYSA-N.
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CAS
936648-32-7 Purity
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936648-32-7 Purity
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