CAS
947534-50-1 Purity
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947534-50-1 Purity
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1-(4-Bromo-benzyl)-1,3-dihydro-imidazol-2-one
CAS
947534-54-5
Catalog Number
ACM947534545
Category
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Specification
Synonyms
1-(4-Bromo-benzyl)-1,3-dihydro-imidazol-2-one
What is the molecular formula of 1-(4-Bromo-benzyl)-1,3-dihydro-imidazol-2-one?
The molecular formula is C10H9BrN2O.
When was 1-(4-Bromo-benzyl)-1,3-dihydro-imidazol-2-one created and modified in PubChem?
It was created on November 19, 2009, and last modified on December 30, 2023.
What is the IUPAC name of 1-(4-Bromo-benzyl)-1,3-dihydro-imidazol-2-one?
The IUPAC name is 3-[(4-bromophenyl)methyl]-1H-imidazol-2-one.
What is the InChI representation of 1-(4-Bromo-benzyl)-1,3-dihydro-imidazol-2-one?
The InChI is InChI=1S/C10H9BrN2O/c11-9-3-1-8(2-4-9)7-13-6-5-12-10(13)14/h1-6H,7H2,(H,12,14).
What is the InChIKey of 1-(4-Bromo-benzyl)-1,3-dihydro-imidazol-2-one?
The InChIKey is OUNYOFFUHZUOLK-UHFFFAOYSA-N.
What is the Canonical SMILES representation of 1-(4-Bromo-benzyl)-1,3-dihydro-imidazol-2-one?
The Canonical SMILES is C1=CC(=CC=C1CN2C=CNC2=O)Br.
What is the XLogP3 value of 1-(4-Bromo-benzyl)-1,3-dihydro-imidazol-2-one?
The XLogP3 value is 1.5.
How many hydrogen bond donor counts are there in 1-(4-Bromo-benzyl)-1,3-dihydro-imidazol-2-one?
There is 1 hydrogen bond donor count.
What is the topological polar surface area of 1-(4-Bromo-benzyl)-1,3-dihydro-imidazol-2-one?
The topological polar surface area is 32.3 Ų.
Is 1-(4-Bromo-benzyl)-1,3-dihydro-imidazol-2-one a canonicalized compound in PubChem?
Yes, 1-(4-Bromo-benzyl)-1,3-dihydro-imidazol-2-one is a canonicalized compound in PubChem.
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