CAS
921938-85-4 Purity
96%
921938-85-4 Purity
96%
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Benzoylchloride,3-[(6-methyl-2-pyrazinyl)oxy]-
CAS
921938-93-4
Catalog Number
ACM921938934
Category
Other Products
Molecular Weight
248.67
Molecular Formula
C12H9ClN2O2
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Specification
Synonyms
3-[(6-Methylpyrazin-2-yl)oxy]benzoyl chloride, 921938-93-4, CTK3I6437, ZINC12370717, AG-H-78256, CC62602, KB-234428, Benzoylchloride, 3-[(6-methyl-2-pyrazinyl)oxy]-
IUPAC Name
3-(6-methylpyrazin-2-yl)oxybenzoyl chloride
Canonical SMILES
CC1=CN=CC(=N1)OC2=CC=CC(=C2)C(=O)Cl
InChI Key
YVVBBJRSYHOKJI-UHFFFAOYSA-N
Boiling Point
364.6ºC at 760 mmHg
Melting Point
69.5-70.5ºC
Flash Point
174.3ºC
Density
1.314 g/cm³
Exact Mass
248.03500
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of the compound Benzoylchloride, 3-[(6-methyl-2-pyrazinyl)oxy]?
The molecular formula is C12H9ClN2O2.
When was the compound first created?
The compound was first created on February 29, 2008.
What is the IUPAC name of the compound?
The IUPAC name is 3-(6-methylpyrazin-2-yl)oxybenzoyl chloride.
What is the InChIKey of the compound?
The InChIKey is YVVBBJRSYHOKJI-UHFFFAOYSA-N.
How many hydrogen bond acceptors are present in the compound?
There are 4 hydrogen bond acceptors in the compound.
What is the topological polar surface area of the compound?
The topological polar surface area is 52.1 Ų.
How many rotatable bonds are present in the compound?
There are 3 rotatable bonds in the compound.
What is the exact mass of the compound?
The exact mass is 248.0352552 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the molecular weight of Benzoylchloride, 3-[(6-methyl-2-pyrazinyl)oxy]?
The molecular weight is 248.66 g/mol.
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CAS
921938-87-6 Purity
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921938-87-6 Purity
96%
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