CAS
95658-41-6 Purity
96%
95658-41-6 Purity
96%
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4-(Oxazol-2-yl)benzenesulfonyl chloride
CAS
956595-45-2
Catalog Number
ACM956595452
Category
Other Products
Molecular Weight
243.666840 [g/mol]
Molecular Formula
C9H6ClNO3S
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Specification
Synonyms
4-(oxazol-2-yl)benzenesulfonyl chloride, KB-239116, 956595-45-2
IUPAC Name
4-(1,3-oxazol-2-yl)benzenesulfonyl chloride
Canonical SMILES
C1=CC(=CC=C1C2=NC=CO2)S(=O)(=O)Cl
InChI Key
JBUYBQJKRNHOAV-UHFFFAOYSA-N
Exact Mass
242.97600
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of 4-(Oxazol-2-yl)benzenesulfonyl chloride?
The molecular formula is C9H6ClNO3S.
When was the compound created and modified according to PubChem?
The compound was created on August 19, 2012, and modified on December 30, 2023.
What is the IUPAC name of 4-(Oxazol-2-yl)benzenesulfonyl chloride?
The IUPAC name is 4-(1,3-oxazol-2-yl)benzenesulfonyl chloride.
What is the InChI of 4-(Oxazol-2-yl)benzenesulfonyl chloride?
The InChI is InChI=1S/C9H6ClNO3S/c10-15(12,13)8-3-1-7(2-4-8)9-11-5-6-14-9/h1-6H.
What is the InChIKey of 4-(Oxazol-2-yl)benzenesulfonyl chloride?
The InChIKey is JBUYBQJKRNHOAV-UHFFFAOYSA-N.
What is the Canonical SMILES of 4-(Oxazol-2-yl)benzenesulfonyl chloride?
The Canonical SMILES is C1=CC(=CC=C1C2=NC=CO2)S(=O)(=O)Cl.
What is the molecular weight of 4-(Oxazol-2-yl)benzenesulfonyl chloride?
The molecular weight is 243.67 g/mol.
How many hydrogen bond acceptors are there in 4-(Oxazol-2-yl)benzenesulfonyl chloride?
There are 4 hydrogen bond acceptors.
What is the topological polar surface area of 4-(Oxazol-2-yl)benzenesulfonyl chloride?
The topological polar surface area is 68.6 Ų.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized.
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