CAS
90495-95-7 Purity
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90495-95-7 Purity
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5-Bromo-2-(4-phenoxyphenoxy)pyridine
CAS
904961-14-4
Catalog Number
ACM904961144
Category
Other Products
Molecular Weight
342.18700
Molecular Formula
C17H12BrNO2
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Specification
Synonyms
5-BROMO-2-(4-PHENOXYPHENOXY)PYRIDINE;
IUPAC Name
5-Bromo-2-(4-phenoxy-phenoxy)-pyridine
Exact Mass
341.00500
What is the IUPAC Name of the compound?
The IUPAC Name of the compound is 5-bromo-2-(4-phenoxyphenoxy)pyridine.
What is the molecular formula of the compound?
The molecular formula of the compound is C17H12BrNO2.
What is the molecular weight of the compound?
The molecular weight of the compound is 342.2 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C17H12BrNO2/c18-13-6-11-17(19-12-13)21-16-9-7-15(8-10-16)20-14-4-2-1-3-5-14/h1-12H.
What is the InChIKey of the compound?
The InChIKey of the compound is HFKFZSLXECSCKD-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC=C(C=C1)OC2=CC=C(C=C2)OC3=NC=C(C=C3)Br.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 4.9.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
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CAS
904997-87-1 Purity
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904997-87-1 Purity
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