1,1,1-Trifluoro-methanesulfonic acid 2-acetyl-2H-indazol-7-yl ester

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CAS
945761-97-7
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Purity
96%
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Catalog Number

ACM945761977

Product Name

1,1,1-Trifluoro-methanesulfonic acid 2-acetyl-2H-indazol-7-yl ester

CAS

945761-97-7

Category

Heterocyclic Organic Compound

Synonyms

2-ACETYL-2H-INDAZOL-7-YL TRIFLUOROMETHANESULFONATE, 945761-97-7

IUPAC Name

(2-acetylindazol-7-yl) trifluoromethanesulfonate

Molecular Weight

308.233790 [g/mol]

Molecular Formula

C₁₀H₇F₃N₂O₄S

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

MSDS

COA

Spec Sheet

Download Spec Sheet

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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