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Home > Boronic Acids > 850589-31-0
850589-31-0 | (4-(N-Isopropylsulfamoyl);phenyl);boronic acid
CAS No: 850589-31-0 Catalog No: AG004S9K MDL No:MFCD07363752
Product Description
Catalog Number:
AG004S9K
Chemical Name:
(4-(N-Isopropylsulfamoyl);phenyl);boronic acid
CAS Number:
850589-31-0
Molecular Formula:
C9H14BNO4S
Molecular Weight:
243.0878
MDL Number:
MFCD07363752
IUPAC Name:
[4-(propan-2-ylsulfamoyl)phenyl]boronic acid
InChI:
InChI=1S/C9H14BNO4S/c1-7(2)11-16(14,15)9-5-3-8(4-6-9)10(12)13/h3-7,11-13H,1-2H3
InChI Key:
PMNOLRUYDNBEFQ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)S(=O)(=O)NC(C)C)O
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
243.084g/mol
Monoisotopic Mass:
243.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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