CAS
94574-42-2 Purity
96%
94574-42-2 Purity
96%
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1,1,1-Trifluoro-methanesulfonic acid 1H-indazol-7-yl ester
CAS
945761-93-3
Catalog Number
ACM945761933
Category
Other Products
Molecular Weight
266.197110 [g/mol]
Molecular Formula
C8H5F3N2O3S
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Specification
Synonyms
CHEMBL484297, trifluoromethanesulfonic acid 1H-indazol-7-yl ester, 945761-93-3
IUPAC Name
1H-indazol-7-yl trifluoromethanesulfonate
Canonical SMILES
C1=CC2=C(C(=C1)OS(=O)(=O)C(F)(F)F)NN=C2
InChI Key
NMNSIXPNRMMDKQ-UHFFFAOYSA-N
Exact Mass
265.99700
H-Bond Acceptor
7
H-Bond Donor
1
What is the molecular formula of 1,1,1-Trifluoro-methanesulfonic acid 1H-indazol-7-yl ester?
The molecular formula is C8H5F3N2O3S.
What is the molecular weight of 1,1,1-Trifluoro-methanesulfonic acid 1H-indazol-7-yl ester?
The molecular weight is 266.20 g/mol.
What is the IUPAC name of 1,1,1-Trifluoro-methanesulfonic acid 1H-indazol-7-yl ester?
The IUPAC name is 1H-indazol-7-yl trifluoromethanesulfonate.
What is the Canonical SMILES representation of 1,1,1-Trifluoro-methanesulfonic acid 1H-indazol-7-yl ester?
The Canonical SMILES representation is C1=CC2=C(C(=C1)OS(=O)(=O)C(F)(F)F)NN=C2.
What is the InChIKey of 1,1,1-Trifluoro-methanesulfonic acid 1H-indazol-7-yl ester?
The InChIKey is NMNSIXPNRMMDKQ-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 1,1,1-Trifluoro-methanesulfonic acid 1H-indazol-7-yl ester have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does 1,1,1-Trifluoro-methanesulfonic acid 1H-indazol-7-yl ester have?
It has 7 hydrogen bond acceptor counts.
What is the topological polar surface area of 1,1,1-Trifluoro-methanesulfonic acid 1H-indazol-7-yl ester?
The topological polar surface area is 80.4 Ų.
Does 1,1,1-Trifluoro-methanesulfonic acid 1H-indazol-7-yl ester have any defined atom stereocenter counts?
It does not have any defined atom stereocenter counts.
Is 1,1,1-Trifluoro-methanesulfonic acid 1H-indazol-7-yl ester a canonicalized compound?
Yes, it is a canonicalized compound.
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CAS
945761-97-7 Purity
96%
945761-97-7 Purity
96%
