CAS
941717-01-7 Purity
96%
941717-01-7 Purity
96%
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2-[(Morpholin-4-yl)sulphonyl]benzyl bromide
CAS
941717-06-2
Catalog Number
ACM941717062
Category
Other Products
Molecular Weight
320.2056
Molecular Formula
C11H14BrNO3S
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Specification
Synonyms
4-{[2-(Bromomethyl)phenyl]sulphonyl}morpholine
IUPAC Name
4-[2-(bromomethyl)phenyl]sulfonylmorpholine
Canonical SMILES
C1COCCN1S(=O)(=O)C2=CC=CC=C2CBr
InChI Key
VRRKTYLWVKMVJU-UHFFFAOYSA-N
Melting Point
71.5-73.5℃
Exact Mass
318.98800
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C11H14BrNO3S.
What is the molecular weight of the compound?
The molecular weight of the compound is 320.20 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-[2-(bromomethyl)phenyl]sulfonylmorpholine.
What is the InChIKey of the compound?
The InChIKey of the compound is VRRKTYLWVKMVJU-UHFFFAOYSA-N.
How many hydrogen bond acceptors are in the compound?
There are 4 hydrogen bond acceptors in the compound.
How many rotatable bonds are in the compound?
There are 3 rotatable bonds in the compound.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 55 Å2.
How many heavy atoms are in the compound?
There are 17 heavy atoms in the compound.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the complexity of the compound?
The complexity of the compound is 335.
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