CAS
952182-28-4 Purity
96%
952182-28-4 Purity
96%
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Methyl 1-(toluene-4-sulphonyl)-4-azaindole-2-carboxylate
CAS
952182-32-0
Catalog Number
ACM952182320
Category
Other Products
Molecular Weight
330.3626
Molecular Formula
n1c2c(ccc1)N(C(=C2)C(=O)OC)S(=O)(=O)c1ccc(cc1)C
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Specification
Synonyms
Methyl 1-[(4-methylphenyl)sulphonyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxylate, Methyl 1-tosyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
IUPAC Name
methyl 1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridine-2-carboxylate
InChI Key
ZPNINBMTDIALTD-UHFFFAOYSA-N
Boiling Point
525.907ºC at 760 mmHg
Flash Point
271.859ºC
Density
1.362g/cm³
Exact Mass
330.06700
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of Methyl 1-(toluene-4-sulphonyl)-4-azaindole-2-carboxylate?
The molecular formula is C16H14N2O4S.
When was Methyl 1-(toluene-4-sulphonyl)-4-azaindole-2-carboxylate created?
It was created on 2010-03-29.
What is the IUPAC name of Methyl 1-(toluene-4-sulphonyl)-4-azaindole-2-carboxylate?
The IUPAC name is methyl 1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridine-2-carboxylate.
What is the molecular weight of Methyl 1-(toluene-4-sulphonyl)-4-azaindole-2-carboxylate?
The molecular weight is 330.4 g/mol.
What is the InChIKey of Methyl 1-(toluene-4-sulphonyl)-4-azaindole-2-carboxylate?
The InChIKey is ZPNINBMTDIALTD-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does Methyl 1-(toluene-4-sulphonyl)-4-azaindole-2-carboxylate have?
It has 5 hydrogen bond acceptor counts.
What is the topological polar surface area of Methyl 1-(toluene-4-sulphonyl)-4-azaindole-2-carboxylate?
The topological polar surface area is 86.6 Å2.
How many rotatable bond counts does Methyl 1-(toluene-4-sulphonyl)-4-azaindole-2-carboxylate have?
It has 4 rotatable bond counts.
Is Methyl 1-(toluene-4-sulphonyl)-4-azaindole-2-carboxylate considered as a canonicalized compound?
Yes, it is considered as a canonicalized compound.
What is the complexity value of Methyl 1-(toluene-4-sulphonyl)-4-azaindole-2-carboxylate?
The complexity value is 537.
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