CAS
90224-71-8 Purity
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90224-71-8 Purity
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4-Isoxazolecarbonyl chloride,5-(2-furyl)-3-methyl-(7ci)
CAS
90225-06-2
Catalog Number
ACM90225062
Category
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- Product Description
- Case Study
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- Synthetic Use
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What is the molecular formula of 4-Isoxazolecarbonyl chloride, 5-(2-furyl)-3-methyl-(7ci)?
The molecular formula is C9H6ClNO3.
When was the compound created and modified according to PubChem?
The compound was created on 2007-12-05 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is 5-(furan-2-yl)-3-methyl-1,2-oxazole-4-carbonyl chloride.
What is the InChI of 4-Isoxazolecarbonyl chloride, 5-(2-furyl)-3-methyl-(7ci)?
The InChI is InChI=1S/C9H6ClNO3/c1-5-7(9(10)12)8(14-11-5)6-3-2-4-13-6/h2-4H,1H3.
What is the InChIKey of the compound?
The InChIKey is BMRMMPVPESEVBE-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CC1=NOC(=C1C(=O)Cl)C2=CC=CO2.
What is the molecular weight of the compound?
The molecular weight is 211.60 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 56.2 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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