CAS
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N-Hydroxy-2-(4-isopropoxy-benzenesulfonyl)-acetamidine
Catalog Number
ACMA00002122
Category
Ethers
Molecular Weight
272.32
Molecular Formula
C11H15NO3
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Specification
Hazard Statements
H302
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of N-Hydroxy-2-(4-isopropoxy-benzenesulfonyl)-acetamidine?
The molecular formula is C11H16N2O4S.
What is the molecular weight of N-Hydroxy-2-(4-isopropoxy-benzenesulfonyl)-acetamidine?
The molecular weight is 272.32 g/mol.
What is the IUPAC name of N-Hydroxy-2-(4-isopropoxy-benzenesulfonyl)-acetamidine?
The IUPAC name is N'-hydroxy-2-(4-propan-2-yloxyphenyl)sulfonylethanimidamide.
What is the InChI of N-Hydroxy-2-(4-isopropoxy-benzenesulfonyl)-acetamidine?
The InChI is InChI=1S/C11H16N2O4S/c1-8(2)17-9-3-5-10(6-4-9)18(15,16)7-11(12)13-14/h3-6,8,14H,7H2,1-2H3,(H2,12,13).
What is the InChIKey of N-Hydroxy-2-(4-isopropoxy-benzenesulfonyl)-acetamidine?
The InChIKey is BDEFHQNXGKXVRL-UHFFFAOYSA-N.
What is the Canonical SMILES of N-Hydroxy-2-(4-isopropoxy-benzenesulfonyl)-acetamidine?
The Canonical SMILES is CC(C)OC1=CC=C(C=C1)S(=O)(=O)CC(=NO)N.
What is the Isomeric SMILES of N-Hydroxy-2-(4-isopropoxy-benzenesulfonyl)-acetamidine?
The Isomeric SMILES is CC(C)OC1=CC=C(C=C1)S(=O)(=O)C/C(=N/O)/N.
What is the XLogP3-AA value of N-Hydroxy-2-(4-isopropoxy-benzenesulfonyl)-acetamidine?
The XLogP3-AA value is 1.1.
How many hydrogen bond donor counts does N-Hydroxy-2-(4-isopropoxy-benzenesulfonyl)-acetamidine have?
It has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does N-Hydroxy-2-(4-isopropoxy-benzenesulfonyl)-acetamidine have?
It has 5 hydrogen bond acceptor counts.
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