CAS
94349-47-0 Purity
96%
94349-47-0 Purity
96%
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Methyl 4-[[(3-amino-4-tolyl)sulfonyl]oxy]benzoate
CAS
94349-53-8
Catalog Number
ACM94349538
Category
Other Products
Molecular Weight
321.348300 [g/mol]
Molecular Formula
C15H15NO5S
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Specification
Synonyms
EINECS 305-171-8, Methyl 4-(((3-amino-4-tolyl)sulphonyl)oxy)benzoate, 94349-53-8
IUPAC Name
methyl 4-(3-amino-4-methylphenyl)sulfonyloxybenzoate
SMILES
CC1=CC(=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OC)N
InChI Key
DFKGWPYAFFASDK-UHFFFAOYSA-N
Exact Mass
321.06700
H-Bond Acceptor
6
H-Bond Donor
1
What is the molecular formula of Methyl 4-[[(3-amino-4-tolyl)sulfonyl]oxy]benzoate?
The molecular formula is C15H15NO5S.
When was Methyl 4-[[(3-amino-4-tolyl)sulfonyl]oxy]benzoate created on PubChem?
It was created on July 11, 2007.
What is the IUPAC name of Methyl 4-[[(3-amino-4-tolyl)sulfonyl]oxy]benzoate?
The IUPAC name is methyl 4-(3-amino-4-methylphenyl)sulfonyloxybenzoate.
What is the InChIKey of Methyl 4-[[(3-amino-4-tolyl)sulfonyl]oxy]benzoate?
The InChIKey is DFKGWPYAFFASDK-UHFFFAOYSA-N.
What is the Canonical SMILES of Methyl 4-[[(3-amino-4-tolyl)sulfonyl]oxy]benzoate?
The Canonical SMILES is CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OC)N.
What is the molecular weight of Methyl 4-[[(3-amino-4-tolyl)sulfonyl]oxy]benzoate?
The molecular weight is 321.3 g/mol.
How many hydrogen bond donor counts does Methyl 4-[[(3-amino-4-tolyl)sulfonyl]oxy]benzoate have?
It has 1 hydrogen bond donor count.
What is the exact mass of Methyl 4-[[(3-amino-4-tolyl)sulfonyl]oxy]benzoate?
The exact mass is 321.06709375 g/mol.
How many rotatable bond counts does Methyl 4-[[(3-amino-4-tolyl)sulfonyl]oxy]benzoate have?
It has 5 rotatable bond counts.
Is Methyl 4-[[(3-amino-4-tolyl)sulfonyl]oxy]benzoate compound canonicalized on PubChem?
Yes, the compound is canonicalized on PubChem.
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