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Structure

4-[3-(Trifluoromethyl)phenyl]thiazole

CAS
939805-29-5
Catalog Number
ACM939805295
Category
Other Products
Molecular Weight
229.221550 [g/mol]
Molecular Formula
C10H6F3NS

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Specification

Synonyms
4-(3-(Trifluoromethyl)phenyl)thiazole, 939805-29-5, CTK8C0463, MolPort-021-798-464, ANW-64715, AKOS015899674, AK103524, KB-237755, I14-11428
IUPAC Name
4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
InChI Key
BGZJFMOUTYZLBP-UHFFFAOYSA-N
Exact Mass
229.01700
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of the compound?

The molecular formula is C10H6F3NS.

What is the molecular weight of the compound?

The molecular weight is 229.22 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 4-[3-(trifluoromethyl)phenyl]-1,3-thiazole.

What is the InChI of the compound?

The InChI is InChI=1S/C10H6F3NS/c11-10(12,13)8-3-1-2-7(4-8)9-5-15-6-14-9/h1-6H.

What is the InChIKey of the compound?

The InChIKey is BGZJFMOUTYZLBP-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is C1=CC(=CC(=C1)C(F)(F)F)C2=CSC=N2.

What is the CAS number of the compound?

The CAS number is 939805-29-5.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID is DTXSID10677303.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 3.5.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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