CAS
91108-31-5 Purity
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91108-31-5 Purity
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1-Bromo-4-[(phenylsulfonyl)methyl]benzene
CAS
91110-68-8
Catalog Number
ACM91110688
Category
Other Products
Molecular Weight
311.1990
Molecular Formula
C13H11BrO2S
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Specification
Synonyms
1-Bromo-4-[(phenylsulfonyl)methyl]benzene
IUPAC Name
1-(benzenesulfonylmethyl)-4-bromobenzene
Canonical SMILES
C1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)Br
InChI Key
IYYBPFPURCUQAC-UHFFFAOYSA-N
Exact Mass
309.96600
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 1-Bromo-4-[(phenylsulfonyl)methyl]benzene?
The molecular formula of 1-Bromo-4-[(phenylsulfonyl)methyl]benzene is C13H11BrO2S.
When was 1-Bromo-4-[(phenylsulfonyl)methyl]benzene created and modified in the PubChem database?
1-Bromo-4-[(phenylsulfonyl)methyl]benzene was created on 2006-10-26 and modified on 2023-12-30.
What is the IUPAC name of 1-Bromo-4-[(phenylsulfonyl)methyl]benzene?
The IUPAC name of 1-Bromo-4-[(phenylsulfonyl)methyl]benzene is 1-(benzenesulfonylmethyl)-4-bromobenzene.
What is the InChI key of 1-Bromo-4-[(phenylsulfonyl)methyl]benzene?
The InChI key of 1-Bromo-4-[(phenylsulfonyl)methyl]benzene is IYYBPFPURCUQAC-UHFFFAOYSA-N.
What is the canonical SMILES representation of 1-Bromo-4-[(phenylsulfonyl)methyl]benzene?
The canonical SMILES representation of 1-Bromo-4-[(phenylsulfonyl)methyl]benzene is C1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)Br.
What is the CAS number of 1-Bromo-4-[(phenylsulfonyl)methyl]benzene?
The CAS number of 1-Bromo-4-[(phenylsulfonyl)methyl]benzene is 91110-68-8.
What is the molecular weight of 1-Bromo-4-[(phenylsulfonyl)methyl]benzene?
The molecular weight of 1-Bromo-4-[(phenylsulfonyl)methyl]benzene is 311.20 g/mol.
How many hydrogen bond acceptor counts does 1-Bromo-4-[(phenylsulfonyl)methyl]benzene have?
1-Bromo-4-[(phenylsulfonyl)methyl]benzene has 2 hydrogen bond acceptor counts.
What is the heavy atom count of 1-Bromo-4-[(phenylsulfonyl)methyl]benzene?
The heavy atom count of 1-Bromo-4-[(phenylsulfonyl)methyl]benzene is 17.
Is 1-Bromo-4-[(phenylsulfonyl)methyl]benzene a canonical compound in PubChem?
Yes, 1-Bromo-4-[(phenylsulfonyl)methyl]benzene is a canonical compound in PubChem.
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