CAS
98156-55-9 Purity
96%
98156-55-9 Purity
96%
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1-(2,4-Dibromophenyl)-2-(1H-1,2,4-triazole-1-yl)-ethanone
CAS
98165-40-3
Catalog Number
ACM98165403
Category
Other Products
Molecular Weight
344.99
Molecular Formula
C10H7Br2N3O
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Specification
Synonyms
1-(2,4-DIBROMOPHENYL)-2-(1H-1,2,4-TRIAZOLE-1-YL)-ETHANONE
What is the molecular formula of the compound?
The molecular formula of the compound is C10H7Br2N3O.
What is the PubChem CID of the compound?
The PubChem CID of the compound is 739373.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 1-(2,4-dibromophenyl)-2-(1,2,4-triazol-1-yl)ethanone.
What is the molecular weight of the compound?
The molecular weight of the compound is 344.99 g/mol.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is C1=CC(=C(C=C1Br)Br)C(=O)CN2C=NC=N2.
How many hydrogen bond donor atoms are in the compound?
There are 0 hydrogen bond donor atoms in the compound.
How many hydrogen bond acceptor atoms are in the compound?
There are 3 hydrogen bond acceptor atoms in the compound.
How many rotatable bonds are in the compound?
There are 3 rotatable bonds in the compound.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 47.8 ?^2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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