CAS
913835-46-8 Purity
98%
913835-46-8 Purity
98%
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4-(N-Acetylsulphamoyl)benzeneboronic acid
CAS
913835-52-6
Catalog Number
ACM913835526
Category
Other Products
Molecular Weight
243.046
Molecular Formula
C8H10BNO5S
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Specification
Synonyms
913835-52-6, 4-(N-Acetylsulfamoyl)phenylboronic acid, 4-(N-Acetylsulphamoyl)benzeneboronic acid, (4-(N-Acetylsulfamoyl)phenyl)boronic acid, ACMC-209r9i, CTK3I6352, MolPort-001-771-085, ANW-39604, OR9556, AKOS015837929, AG-H-74923, AK-92032, BD230203, KB-35081, FT-0687807, A-3667, I04-1985
IUPAC Name
[4-(acetylsulfamoyl)phenyl]boronic acid
SMILES
B(C1=CC=C(C=C1)S(=O)(=O)NC(=O)C)(O)O
InChI Key
CEUUKZMDDOCDTD-UHFFFAOYSA-N
Melting Point
130-134ºC
Density
1.47g/cm³
Exact Mass
243.03700
Hazard Statements
Xi
H-Bond Acceptor
5
H-Bond Donor
3
What is the molecular formula of 4-(N-Acetylsulphamoyl)benzeneboronic acid?
The molecular formula is C8H10BNO5S.
What is the molecular weight of 4-(N-Acetylsulphamoyl)benzeneboronic acid?
The molecular weight is 243.05 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is [4-(acetylsulfamoyl)phenyl]boronic acid.
What is the InChI of 4-(N-Acetylsulphamoyl)benzeneboronic acid?
The InChI is InChI=1S/C8H10BNO5S/c1-6(11)10-16(14,15)8-4-2-7(3-5-8)9(12)13/h2-5,12-13H,1H3,(H,10,11).
What is the InChIKey of the compound?
The InChIKey is CEUUKZMDDOCDTD-UHFFFAOYSA-N.
What is the Canonical SMILES of 4-(N-Acetylsulphamoyl)benzeneboronic acid?
The Canonical SMILES is B(C1=CC=C(C=C1)S(=O)(=O)NC(=O)C)(O)O.
How many hydrogen bond donor counts does the compound have?
The compound has 3 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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