CAS
944709-39-1 Purity
96%
944709-39-1 Purity
96%
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1-(3-Bromo-phenyl)-1,3-dihydro-imidazol-2-one
CAS
944709-54-0
Catalog Number
ACM944709540
Category
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Specification
Synonyms
1-(3-Bromo-phenyl)-1,3-dihydro-imidazol-2-one
What is the molecular formula of the compound?
The molecular formula of the compound is C9H7BrN2O.
What is the molecular weight of the compound?
The molecular weight of the compound is 239.07 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-(3-bromophenyl)-1H-imidazol-2-one.
What is the InChIKey of the compound?
The InChIKey of the compound is GSEFYTRZEWBZFT-UHFFFAOYSA-N.
What is the canonical SMILES representation of the compound?
The canonical SMILES representation of the compound is C1=CC(=CC(=C1)Br)N2C=CNC2=O.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 32.3 Å^2.
How many rotatable bond counts does the compound have?
The compound has 1 rotatable bond count.
Is the compound considered canonicalized?
Yes, the compound is considered canonicalized.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.6.
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