CAS
98402-07-4 Purity
96%
98402-07-4 Purity
96%
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8-Bromo-7-(3-chloropropyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS
98408-17-4
Catalog Number
ACM98408174
Category
Other Products
Molecular Weight
335.58
Molecular Formula
C10H12BrClN4O2
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Specification
Synonyms
8-BROMO-7-(3-CHLOROPROPYL)-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
What is the molecular formula of the compound?
The molecular formula of the compound is C10H12BrClN4O2.
When was the compound created and last modified?
The compound was created on 2005-07-19 and last modified on 2023-12-30.
What is the IUPAC Name of the compound?
The IUPAC Name of the compound is 8-bromo-7-(3-chloropropyl)-1,3-dimethylpurine-2,6-dione.
What is the InChIKey of the compound?
The InChIKey of the compound is GVVOAVOHACRAIB-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CCCCl.
What is the molecular weight of the compound?
The molecular weight of the compound is 335.58 g/mol.
How many hydrogen bond acceptors does the compound have?
The compound has 3 hydrogen bond acceptors.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 58.4 Ų.
How many rotatable bonds does the compound have?
The compound has 3 rotatable bonds.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
98412-18-1 Purity
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98412-18-1 Purity
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