CAS
911826-11-4 Purity
96%
911826-11-4 Purity
96%
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3-Methyl-5-phenyl-4-isoxazolecarbonyl chloride
CAS
91182-77-3
Catalog Number
ACM91182773
Category
Other Products
Molecular Weight
221.64
Molecular Formula
C11H8ClNO2
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Specification
Synonyms
BUTTPARK 95\50-97;3-METHYL-5-PHENYL-4-ISOXAZOLECARBONYL CHLORIDE;3-Methyl-5-phenylisoxazole-4-carbonyl chloride
IUPAC Name
3-methyl-5-phenyl-1,2-oxazole-4-carbonyl chloride
Canonical SMILES
CC1=NOC(=C1C(=O)Cl)C2=CC=CC=C2
InChI Key
YVFYIVAJRVFJHR-UHFFFAOYSA-N
Boiling Point
369.1ºC at 760 mmHg
Flash Point
177ºC
Density
1.278g/cm³
Exact Mass
221.02400
H-Bond Acceptor
3
H-Bond Donor
0
Safety Description
S26-S36/37/39-S45
What is the molecular formula of 3-Methyl-5-phenyl-4-isoxazolecarbonyl chloride?
The molecular formula is C11H8ClNO2.
What is the molecular weight of 3-Methyl-5-phenyl-4-isoxazolecarbonyl chloride?
The molecular weight is 221.64 g/mol.
What are the synonyms of 3-Methyl-5-phenyl-4-isoxazolecarbonyl chloride?
Some synonyms include 91182-77-3 and 3-METHYL-5-PHENYL-4-ISOXAZOLECARBONYL CHLORIDE.
When was 3-Methyl-5-phenyl-4-isoxazolecarbonyl chloride created on PubChem?
It was created on 2005-07-19.
What is the InChIKey of 3-Methyl-5-phenyl-4-isoxazolecarbonyl chloride?
The InChIKey is YVFYIVAJRVFJHR-UHFFFAOYSA-N.
How many hydrogen bond acceptors does 3-Methyl-5-phenyl-4-isoxazolecarbonyl chloride have?
It has 3 hydrogen bond acceptors.
What is the exact mass of 3-Methyl-5-phenyl-4-isoxazolecarbonyl chloride?
The exact mass is 221.0243562 g/mol.
Is 3-Methyl-5-phenyl-4-isoxazolecarbonyl chloride a canonical compound?
Yes, it is a canonical compound.
What is the topological polar surface area of 3-Methyl-5-phenyl-4-isoxazolecarbonyl chloride?
The topological polar surface area is 43.1 Ų.
How many rotatable bonds does 3-Methyl-5-phenyl-4-isoxazolecarbonyl chloride have?
It has 2 rotatable bonds.
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