CAS
952182-20-6 Purity
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952182-20-6 Purity
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Methyl 5-chloro-1-tosyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CAS
952182-24-0
Catalog Number
ACM952182240
Category
Other Products
Molecular Weight
364.8077
Molecular Formula
C16H13ClN2O4S
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Specification
Synonyms
Methyl 5-chloro-1-[(4-methylphenyl)sulphonyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
IUPAC Name
methyl 5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-carboxylate
InChI Key
PUVWYEVRGRQFNW-UHFFFAOYSA-N
Boiling Point
538.297ºC at 760 mmHg
Flash Point
279.352ºC
Density
1.449g/cm³
Exact Mass
364.02800
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of methyl 5-chloro-1-tosyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate?
The molecular formula is C16H13ClN2O4S.
When was the compound created and last modified?
The compound was created on 2010-03-29 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is methyl 5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-carboxylate.
What is the InChI of the compound?
The InChI is InChI=1S/C16H13ClN2O4S/c1-10-3-5-12(6-4-10)24(21,22)19-9-14(16(20)23-2)13-7-11(17)8-18-15(13)19/h3-9H,1-2H3.
What is the InChIKey of the compound?
The InChIKey is PUVWYEVRGRQFNW-UHFFFAOYSA-N.
How many hydrogen bond acceptors are in the compound?
There are 5 hydrogen bond acceptors.
What is the exact mass of the compound?
The exact mass is 364.0284558 g/mol.
What is the topological polar surface area of the compound?
The topological polar surface area is 86.6 Ų.
How many heavy atoms are in the compound?
There are 24 heavy atoms.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
952182-23-9 Purity
96%
952182-23-9 Purity
96%
