CAS
99524-10-4 Purity
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99524-10-4 Purity
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1-(Phenylsulphonyl)-1H-indole-3-carbonyl chloride
CAS
99532-51-1
Catalog Number
ACM99532511
Category
Other Products
Molecular Weight
319.76
Molecular Formula
C15H10ClNO3S
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Specification
Synonyms
1-(PHENYLSULFONYL)-1H-INDOLE-3-CARBONYL CHLORIDE;1-PHENYLSULPHONYLINDOLE-3-CARBONYL CHLORIDE;1-(Phenylsulphonyl)-1H-indole-3-carbonyl chloride;1-PHENYLSULFONYLINDOLE-3-CARBONYL CHLORIDE
IUPAC Name
1-(benzenesulfonyl)indole-3-carbonyl chloride
Canonical SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(=O)Cl
InChI Key
RDVIVYUKRJAERC-UHFFFAOYSA-N
Boiling Point
515.6ºC at 760 mmHg
Melting Point
144ºC
Flash Point
265.6ºC
Density
1.41g/cm³
Exact Mass
319.00700
H-Bond Acceptor
3
H-Bond Donor
0
Safety Description
S26-S36/37/39-S45
What is the molecular formula of 1-(Phenylsulphonyl)-1H-indole-3-carbonyl chloride?
The molecular formula is C15H10ClNO3S.
When was this compound first created?
It was created on July 19, 2005.
What is the molecular weight of 1-(Phenylsulphonyl)-1H-indole-3-carbonyl chloride?
The molecular weight is 319.8 g/mol.
What is the IUPAC name of this compound?
The IUPAC name is 1-(benzenesulfonyl)indole-3-carbonyl chloride.
What is the InChI of 1-(Phenylsulphonyl)-1H-indole-3-carbonyl chloride?
The InChI is InChI=1S/C15H10ClNO3S/c16-15(18)13-10-17(14-9-5-4-8-12(13)14)21(19,20)11-6-2-1-3-7-11/h1-10H.
What is the InChIKey of this compound?
The InChIKey is RDVIVYUKRJAERC-UHFFFAOYSA-N.
How many hydrogen bond acceptors are there in this compound?
There are 3 hydrogen bond acceptors.
What is the Exact Mass of this compound?
The Exact Mass is 319.0069920 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the topological polar surface area of this compound?
The topological polar surface area is 64.5 Ų.
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