CAS
93368-76-4 Purity
97+%
93368-76-4 Purity
97+%
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4-Isothiazolecarboxylicacid,3-chloro-
CAS
933690-30-3
Catalog Number
ACM933690303
Category
Other Products
Molecular Weight
163.582180 [g/mol]
Molecular Formula
C4H2ClNO2S
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Specification
Synonyms
3-chloro-4-isothiazolecarboxylic acid, 933690-30-3, CTK3I5701, MolPort-009-197-314, ANW-53128, SBB066448, AKOS006305515, 4-Isothiazolecarboxylic acid, 3-chloro, 4-Isothiazolecarboxylicacid, 3-chloro-, AK-29615, KB-235660, 3-chloranyl-1,2-thiazole-4-carboxylic acid, FT-0646735, A844542, I09-0582
IUPAC Name
3-chloro-1,2-thiazole-4-carboxylic acid
InChI Key
ZXVLOGPHTXPJCU-UHFFFAOYSA-N
Boiling Point
187.3ºC at 760 mmHg
Flash Point
67.1ºC
Density
1.693g/cm³
Exact Mass
162.94900
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 44558325?
The molecular formula is C4H2ClNO2S.
What is the molecular weight of the compound?
The molecular weight is 163.58 g/mol.
What are some synonyms for 4-Isothiazolecarboxylic acid,3-chloro?
Some synonyms include 3-chloro-4-isothiazolecarboxylic acid and 3-chloroisothiazole-4-carboxylic acid.
When was the compound created in PubChem?
It was created on January 26, 2010.
What is the IUPAC name of the compound?
The IUPAC name is 3-chloro-1,2-thiazole-4-carboxylic acid.
What is the InChIKey for this compound?
The InChIKey is ZXVLOGPHTXPJCU-UHFFFAOYSA-N.
What is the Canonical SMILES for the compound?
The Canonical SMILES is C1=C(C(=NS1)Cl)C(=O)O.
What is the XLogP3-AA value for the compound?
The XLogP3-AA value is 1.5.
How many hydrogen bond acceptors does the compound have?
It has 4 hydrogen bond acceptors.
Is the compound's structure canonicalized?
Yes, the compound's structure is canonicalized.
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