CAS
93065-14-6 Purity
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93065-14-6 Purity
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3-(Morpholine-4-sulfonyl)benzonitrile
CAS
930703-10-9
Catalog Number
ACM930703109
Category
Other Products
Molecular Weight
252.289580 [g/mol]
Molecular Formula
C11H12N2O3S
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Specification
Synonyms
T5782932, ZINC05120542, AC1ONJ8D, Oprea1_521452, 3-(Morpholinosulfonyl)benzonitrile, 3-morpholin-4-ylsulfonylbenzonitrile, 3-(morpholine-4-sulfonyl)benzonitrile, AKOS000184427, MCULE-5357854005, NCGC00181893-01, AK-27861, KB-118240, 930703-10-9
IUPAC Name
3-morpholin-4-ylsulfonylbenzonitrile
Canonical SMILES
C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C#N
InChI Key
ANTSALVISLMPAE-UHFFFAOYSA-N
Exact Mass
252.05700
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of 3-(Morpholine-4-sulfonyl)benzonitrile?
The molecular formula is C11H12N2O3S.
When was 3-(Morpholine-4-sulfonyl)benzonitrile created in PubChem?
It was created on July 29, 2006.
What is the molecular weight of 3-(Morpholine-4-sulfonyl)benzonitrile?
The molecular weight is 252.29 g/mol.
What is the IUPAC name of 3-(Morpholine-4-sulfonyl)benzonitrile?
The IUPAC name is 3-morpholin-4-ylsulfonylbenzonitrile.
What is the InChI of 3-(Morpholine-4-sulfonyl)benzonitrile?
The InChI is InChI=1S/C11H12N2O3S/c12-9-10-2-1-3-11(8-10)17(14,15)13-4-6-16-7-5-13/h1-3,8H,4-7H2.
What is the InChIKey of 3-(Morpholine-4-sulfonyl)benzonitrile?
The InChIKey is ANTSALVISLMPAE-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does 3-(Morpholine-4-sulfonyl)benzonitrile have?
It has 5 hydrogen bond acceptor counts.
What is the topological polar surface area of 3-(Morpholine-4-sulfonyl)benzonitrile?
The topological polar surface area is 78.8 Ų.
Is 3-(Morpholine-4-sulfonyl)benzonitrile a canonicalized compound?
Yes, it is a canonicalized compound.
How many covalently-bonded unit counts does 3-(Morpholine-4-sulfonyl)benzonitrile have?
It has 1 covalently-bonded unit count.
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