CAS
915707-59-4 Purity
96%
915707-59-4 Purity
96%
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2-(4-Bromophenoxy)-6-methylpyrazine
CAS
915707-62-9
Catalog Number
ACM915707629
Category
Other Products
Molecular Weight
265.1091
Molecular Formula
C11H9BrN2O
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Specification
Synonyms
2-(4-Bromophenoxy)-6-methylpyrazine, 915707-62-9, CTK3I6454, MolPort-000-143-972, SBB102889, ZINC12370732, AG-H-75815, CC62710, Pyrazine, 2-(4-bromophenoxy)-6-methyl-, KB-222364, 4-bromo-1-(6-methylpyrazin-2-yloxy)benzene, I14-101229
IUPAC Name
2-(4-bromophenoxy)-6-methylpyrazine
Canonical SMILES
CC1=CN=CC(=N1)OC2=CC=C(C=C2)Br
InChI Key
VJZHVPRWFQZLGM-UHFFFAOYSA-N
Boiling Point
335.2ºC at 760 mmHg
Melting Point
58.5ºC
Flash Point
156.5ºC
Density
1.481g/cm³
Exact Mass
263.99000
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C11H9BrN2O.
When was the compound created and last modified?
The compound was created on February 29, 2008, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-(4-bromophenoxy)-6-methylpyrazine.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C11H9BrN2O/c1-8-6-13-7-11(14-8)15-10-4-2-9(12)3-5-10/h2-7H,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is VJZHVPRWFQZLGM-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is CC1=CN=CC(=N1)OC2=CC=C(C=C2)Br.
What is the molecular weight of the compound?
The molecular weight of the compound is 265.11 g/mol.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 35 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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