CAS
915707-46-9 Purity
96%
915707-46-9 Purity
96%
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3-Pyrimidin-2-ylbenzenesulfonyl chloride
CAS
915707-50-5
Catalog Number
ACM915707505
Category
Other Products
Molecular Weight
254.696
Molecular Formula
C10H7ClN2O2S
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Specification
Synonyms
3-pyrimidin-2-ylbenzenesulfonyl Chloride
IUPAC Name
3-pyrimidin-2-ylbenzenesulfonyl chloride
Canonical SMILES
C1=CC(=CC(=C1)S(=O)(=O)Cl)C2=NC=CC=N2
InChI Key
IGZSWRUGAYXXJV-UHFFFAOYSA-N
Boiling Point
331.6ºC at 760 mmHg
Melting Point
82.5-83ºC
Flash Point
154.4ºC
Density
1.432g/cm³
Exact Mass
253.99200
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of 3-pyrimidin-2-ylbenzenesulfonyl chloride?
The molecular formula is C10H7ClN2O2S.
What is the molecular weight of 3-pyrimidin-2-ylbenzenesulfonyl chloride?
The molecular weight is 254.69 g/mol.
When was 3-pyrimidin-2-ylbenzenesulfonyl chloride created and modified in PubChem?
It was created on 2008-02-29 and modified on 2023-12-30.
What are some synonyms for 3-pyrimidin-2-ylbenzenesulfonyl chloride?
Some synonyms include 3-(Pyrimdin-2-yl)benzene-1-sulfonyl chloride and 3-(PYRIMIDIN-2-YL)BENZENESULFONYL CHLORIDE.
What is the InChIKey of 3-pyrimidin-2-ylbenzenesulfonyl chloride?
The InChIKey is IGZSWRUGAYXXJV-UHFFFAOYSA-N.
How many hydrogen bond acceptors does 3-pyrimidin-2-ylbenzenesulfonyl chloride have?
It has 4 hydrogen bond acceptors.
What is the topological polar surface area of 3-pyrimidin-2-ylbenzenesulfonyl chloride?
The topological polar surface area is 68.3 Å2.
Is 3-pyrimidin-2-ylbenzenesulfonyl chloride a canonicalized compound?
Yes, it is a canonicalized compound.
How many rotatable bonds does 3-pyrimidin-2-ylbenzenesulfonyl chloride have?
It has 2 rotatable bonds.
What is the XLogP3-AA value of 3-pyrimidin-2-ylbenzenesulfonyl chloride?
The XLogP3-AA value is 1.9.
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