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Home > Boronic Acids > 871329-78-1
871329-78-1 | (3-(N-Butylsulfamoyl);phenyl);boronic acid
CAS No: 871329-78-1 Catalog No: AG004KMC MDL No:MFCD07783858
Product Description
Catalog Number:
AG004KMC
Chemical Name:
(3-(N-Butylsulfamoyl);phenyl);boronic acid
CAS Number:
871329-78-1
Molecular Formula:
C10H16BNO4S
Molecular Weight:
257.1143
MDL Number:
MFCD07783858
IUPAC Name:
[3-(butylsulfamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H16BNO4S/c1-2-3-7-12-17(15,16)10-6-4-5-9(8-10)11(13)14/h4-6,8,12-14H,2-3,7H2,1H3
InChI Key:
LDUILYZFVFIMFG-UHFFFAOYSA-N
SMILES:
CCCCNS(=O)(=O)c1cccc(c1)B(O)O
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
257.111g/mol
Monoisotopic Mass:
257.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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