CAS
912569-56-3 Purity
96%
912569-56-3 Purity
96%
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Benzenesulfonyl chloride,3-(1-methyl-1H-pyrazol-3-yl)-
CAS
912569-59-6
Catalog Number
ACM912569596
Category
Other Products
Molecular Weight
256.71
Molecular Formula
C10H9ClN2O2S
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Specification
Synonyms
3-(1-Methyl-1H-pyrazol-3-yl)benzenesulfonyl chloride
IUPAC Name
3-(1-methylpyrazol-3-yl)benzenesulfonyl chloride
Canonical SMILES
CN1C=CC(=N1)C2=CC(=CC=C2)S(=O)(=O)Cl
InChI Key
QGUULJKRHYTFTP-UHFFFAOYSA-N
Boiling Point
421.2ºC at 760 mmHg
Melting Point
76.5-78.5ºC
Flash Point
208.5ºC
Density
1.41g/cm³
Exact Mass
256.00700
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Benzenesulfonyl chloride, 3-(1-methyl-1H-pyrazol-3-yl)?
The molecular formula is C10H9ClN2O2S.
When was the compound created and modified?
It was created in 2008-02-29 and modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is 3-(1-methylpyrazol-3-yl)benzenesulfonyl chloride.
What is the InChIKey of the compound?
The InChIKey is QGUULJKRHYTFTP-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CN1C=CC(=N1)C2=CC(=CC=C2)S(=O)(=O)Cl.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 1.9.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
What is the exact mass of the compound?
The exact mass is 256.0073264 g/mol.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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