CAS
98499-64-0 Purity
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98499-64-0 Purity
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p-Nitrobenzyl-6,6-dibromopenicillinate
CAS
98510-71-5
Catalog Number
ACM98510715
Category
Other Products
Molecular Weight
494.16
Molecular Formula
C15H14Br2N2O5S
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Specification
Synonyms
P-NITROBENZYL-6,6-DIBROMOPENICILLINATE
What is the molecular formula of p-Nitrobenzyl-6,6-dibromopenicillinate?
The molecular formula is C15H14Br2N2O5S.
When was p-Nitrobenzyl-6,6-dibromopenicillinate first created?
It was first created on May 28, 2009.
What is the IUPAC name of p-Nitrobenzyl-6,6-dibromopenicillinate?
The IUPAC name is (4-nitrophenyl)methyl (2S,5R)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
What is the Canonical SMILES of p-Nitrobenzyl-6,6-dibromopenicillinate?
The Canonical SMILES is CC1(C(N2C(S1)C(C2=O)(Br)Br)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C.
How many hydrogen bond acceptors does p-Nitrobenzyl-6,6-dibromopenicillinate have?
It has 6 hydrogen bond acceptors.
What is the exact mass of p-Nitrobenzyl-6,6-dibromopenicillinate?
The exact mass is 493.89697 g/mol.
How many heavy atoms are present in p-Nitrobenzyl-6,6-dibromopenicillinate?
There are 25 heavy atoms in p-Nitrobenzyl-6,6-dibromopenicillinate.
Does p-Nitrobenzyl-6,6-dibromopenicillinate have any defined atom stereocenter counts?
Yes, it has 2 defined atom stereocenter counts.
What is the formal charge of p-Nitrobenzyl-6,6-dibromopenicillinate?
The formal charge is 0.
Is p-Nitrobenzyl-6,6-dibromopenicillinate canonicalized?
Yes, the compound is canonicalized.
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