CAS
903130-16-5 Purity
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903130-16-5 Purity
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2-(Trifluoromethyl)-1,3-thiazole-5-carboxaldehyde
CAS
903130-38-1
Catalog Number
ACM903130381
Category
Other Products
Molecular Weight
181.136
Molecular Formula
C5H2F3NOS
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Specification
Synonyms
2-(trifluoromethyl)-1,3-thiazole-5-carbaldehyde, 5-Formyl-2-(trifluoromethyl)-1,3-thiazole, 2-(Trifluoromethyl)-1,3-thiazole-5-carboxaldehyde, 903130-38-1, AGN-PC-01LR5T, AKOS006289171, AB45398, 2-Trifluoromethyl-thiazole-5-carbaldehyde, KB-87976, H89025
IUPAC Name
2-(trifluoromethyl)-1,3-thiazole-5-carbaldehyde
Canonical SMILES
C1=C(SC(=N1)C(F)(F)F)C=O
InChI Key
SDTOCBWWASQPSN-UHFFFAOYSA-N
Exact Mass
180.98100
H-Bond Acceptor
6
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C5H2F3NOS.
When was the compound created and last modified?
The compound was created on November 16, 2007, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-(trifluoromethyl)-1,3-thiazole-5-carbaldehyde.
What is the InChIKey of the compound?
The InChIKey of the compound is SDTOCBWWASQPSN-UHFFFAOYSA-N.
What is the molecular weight of the compound?
The molecular weight of the compound is 181.14 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.7.
How many hydrogen bond acceptors does the compound have?
The compound has 6 hydrogen bond acceptors.
What is the exact mass of the compound?
The exact mass of the compound is 180.98091935 g/mol.
How many rotatable bonds does the compound have?
The compound has 1 rotatable bond.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
903130-23-4 Purity
96%
903130-23-4 Purity
96%
