CAS
945761-93-3 Purity
96%
945761-93-3 Purity
96%
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1,1,1-Trifluoro-methanesulfonic acid 2-acetyl-2H-indazol-7-yl ester
CAS
945761-97-7
Catalog Number
ACM945761977
Category
Other Products
Molecular Weight
308.233790 [g/mol]
Molecular Formula
C10H7F3N2O4S
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Specification
Synonyms
2-ACETYL-2H-INDAZOL-7-YL TRIFLUOROMETHANESULFONATE, 945761-97-7
IUPAC Name
(2-acetylindazol-7-yl) trifluoromethanesulfonate
Canonical SMILES
CC(=O)N1C=C2C=CC=C(C2=N1)OS(=O)(=O)C(F)(F)F
InChI Key
KGRFSFLNNORWEH-UHFFFAOYSA-N
Exact Mass
308.00800
H-Bond Acceptor
8
H-Bond Donor
0
What is the molecular formula of 1,1,1-Trifluoro-methanesulfonic acid 2-acetyl-2H-indazol-7-yl ester?
The molecular formula is C10H7F3N2O4S.
What is the molecular weight of 1,1,1-Trifluoro-methanesulfonic acid 2-acetyl-2H-indazol-7-yl ester?
The molecular weight is 308.24 g/mol.
What is the IUPAC Name of 1,1,1-Trifluoro-methanesulfonic acid 2-acetyl-2H-indazol-7-yl ester?
The IUPAC Name is (2-acetylindazol-7-yl) trifluoromethanesulfonate.
What is the InChI of 1,1,1-Trifluoro-methanesulfonic acid 2-acetyl-2H-indazol-7-yl ester?
The InChI is InChI=1S/C10H7F3N2O4S/c1-6(16)15-5-7-3-2-4-8(9(7)14-15)19-20(17,18)10(11,12)13/h2-5H,1H3.
What is the InChIKey of 1,1,1-Trifluoro-methanesulfonic acid 2-acetyl-2H-indazol-7-yl ester?
The InChIKey is KGRFSFLNNORWEH-UHFFFAOYSA-N.
What is the Canonical SMILES of 1,1,1-Trifluoro-methanesulfonic acid 2-acetyl-2H-indazol-7-yl ester?
The Canonical SMILES is CC(=O)N1C=C2C=CC=C(C2=N1)OS(=O)(=O)C(F)(F)F.
What is the CAS number of 1,1,1-Trifluoro-methanesulfonic acid 2-acetyl-2H-indazol-7-yl ester?
The CAS number is 945761-97-7.
What is the DSSTox Substance ID of 1,1,1-Trifluoro-methanesulfonic acid 2-acetyl-2H-indazol-7-yl ester?
The DSSTox Substance ID is DTXSID30700167.
Is 1,1,1-Trifluoro-methanesulfonic acid 2-acetyl-2H-indazol-7-yl ester a canonicalized compound?
Yes, it is a canonicalized compound according to PubChem.
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945771-84-6 Purity
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945771-84-6 Purity
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