(4-(N-isopropylsulfamoyl)naphthalen-1-yl)boronic acid
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Basic information
- CAS
1704120-94-4- Standard SMILES
CC(C)NS(=O)(=O)c1ccc(B(O)O)c2ccccc12- InChIKey
PZIPKVBVZZWPNI-UHFFFAOYSA-N- Molecular formula
- C13H16BNO4S
- Average molar mass
- 293.2 g/mol
Names & identifiers
- Preferred name
- (4-(N-isopropylsulfamoyl)naphthalen-1-yl)boronic acid
- IUPAC
- [4-(propan-2-ylsulfamoyl)naphthalen-1-yl]boronic acid
- English name
- (4-(N-isopropylsulfamoyl)naphthalen-1-yl)boronic acid
- Molecular formula
- C13H16BNO4S
- Molecular weight
- 293.15
Names & synonyms
(4-(N-isopropylsulfamoyl)naphthalen-1-yl)boronic acid1704120-94-4[4-(propan-2-ylsulfamoyl)naphthalen-1-yl]boronic acid{4-[(propan-2-yl)sulfamoyl]naphthalen-1-yl}boronic acidstarbld0017667SB82435I12728Boronic acid, B-[4-[[(1-methylethyl)amino]sulfonyl]-1-naphthalenyl]-
Database identifiers
- CAS
1704120-94-4
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 421
Physicochemical properties
- Boiling point
- 514.2 · 514.2±60.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 7.05 · 7.05±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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