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5-(5-Isoxazolyl)-2-methyl-3-furansulfonyl chloride

CAS
924865-06-5
Catalog Number
ACM924865065
Category
Other Products
Molecular Weight
247.655540 [g/mol]
Molecular Formula
C8H6ClNO4S

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Specification

Synonyms
5-(5-Isoxazolyl)-2-methyl-3-furansulfonyl chloride, SBB014970, 924865-06-5, 2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonyl chloride, chloro(5-isoxazol-5-yl-2-methyl(3-furyl))sulfone, AGN-PC-015OWV, CTK5H1307, MolPort-005-306-546, BBL012817, STK693414, AKOS005604746, AG-H-79002, MCULE-8592731836, ST4143508, 5-(isoxazol-5-yl)-2-methylfuran-3-sulfonyl chloride
IUPAC Name
2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonyl chloride
Canonical SMILES
CC1=C(C=C(O1)C2=CC=NO2)S(=O)(=O)Cl
InChI Key
UESHFPJLRRFUDQ-UHFFFAOYSA-N
Exact Mass
246.97100
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of 5-(5-Isoxazolyl)-2-methyl-3-furansulfonyl chloride?

The molecular formula is C8H6ClNO4S.

What is the molecular weight of 5-(5-Isoxazolyl)-2-methyl-3-furansulfonyl chloride?

The molecular weight is 247.66 g/mol.

What is the IUPAC name of 5-(5-Isoxazolyl)-2-methyl-3-furansulfonyl chloride?

The IUPAC name is 2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonyl chloride.

What is the InChI of 5-(5-Isoxazolyl)-2-methyl-3-furansulfonyl chloride?

The InChI is InChI=1S/C8H6ClNO4S/c1-5-8(15(9,11)12)4-7(13-5)6-2-3-10-14-6/h2-4H,1H3.

What is the InChIKey of 5-(5-Isoxazolyl)-2-methyl-3-furansulfonyl chloride?

The InChIKey is UESHFPJLRRFUDQ-UHFFFAOYSA-N.

What is the Canonical SMILES of 5-(5-Isoxazolyl)-2-methyl-3-furansulfonyl chloride?

The Canonical SMILES is CC1=C(C=C(O1)C2=CC=NO2)S(=O)(=O)Cl.

How many hydrogen bond donor counts does 5-(5-Isoxazolyl)-2-methyl-3-furansulfonyl chloride have?

It has 0 hydrogen bond donor counts.

What is the XLogP3-AA value of 5-(5-Isoxazolyl)-2-methyl-3-furansulfonyl chloride?

The XLogP3-AA value is 1.6.

How many hydrogen bond acceptor counts does 5-(5-Isoxazolyl)-2-methyl-3-furansulfonyl chloride have?

It has 5 hydrogen bond acceptor counts.

Is 5-(5-Isoxazolyl)-2-methyl-3-furansulfonyl chloride a canonicalized compound?

Yes, it is a canonicalized compound.

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