CAS
93552-74-0 Purity
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93552-74-0 Purity
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5-(2-Bromo-5-fluorophenoxy)-pyrimidine-2,4-diamine
CAS
935534-20-6
Catalog Number
ACM935534206
Category
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What is the molecular formula of the compound?
The molecular formula of the compound is C10H8BrFN4O.
What is the molecular weight of the compound?
The molecular weight of the compound is 299.10 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 5-(2-bromo-5-fluorophenoxy)pyrimidine-2,4-diamine.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C10H8BrFN4O/c11-6-2-1-5(12)3-7(6)17-8-4-15-10(14)16-9(8)13/h1-4H,(H4,13,14,15,16).
What is the InChIKey of the compound?
The InChIKey of the compound is FMMIFFPYKIEWRV-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC(=C(C=C1F)OC2=CN=C(N=C2N)N)Br.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.8.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 6 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
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