CAS
952182-17-1 Purity
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952182-17-1 Purity
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Methyl 1-(toluene-4-sulphonyl)-7-azaindole-3-carboxylate
CAS
952182-23-9
Catalog Number
ACM952182239
Category
Other Products
Molecular Weight
330.3626
Molecular Formula
n1c2c(ccc1)C(=CN2S(=O)(=O)c1ccc(cc1)C)C(=O)OC
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Specification
Synonyms
Methyl 1-[(4-methylphenyl)sulphonyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
IUPAC Name
methyl 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-carboxylate
InChI Key
FCEKKKLKOSDSBW-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 the compound with PubChem CID 45073278?
The molecular formula is C16H14N2O4S.
What is the molecular weight of the compound?
The molecular weight is 330.4 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is methyl 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-carboxylate.
What is the InChIKey of the compound?
The InChIKey is FCEKKKLKOSDSBW-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.7.
What is the topological polar surface area of the compound?
The topological polar surface area is 86.6 Ų.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
When was the compound created and last modified in PubChem?
The compound was created on 2010-03-29 and last modified on 2023-12-30.
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CAS
952182-20-6 Purity
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952182-20-6 Purity
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CAS
952182-24-0 Purity
96%
952182-24-0 Purity
96%
