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Home > Boronic Acids > 957060-86-5
957060-86-5 | (4-(N-(tert-Butyl);-N-(4-methoxybenzyl);sulfamoyl);phenyl);boronic acid
CAS No: 957060-86-5 Catalog No: AG006BSF MDL No:MFCD09027251
Product Description
Catalog Number:
AG006BSF
Chemical Name:
(4-(N-(tert-Butyl);-N-(4-methoxybenzyl);sulfamoyl);phenyl);boronic acid
CAS Number:
957060-86-5
Molecular Formula:
C18H24BNO5S
Molecular Weight:
377.2629
MDL Number:
MFCD09027251
IUPAC Name:
[4-[tert-butyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]boronic acid
InChI:
InChI=1S/C18H24BNO5S/c1-18(2,3)20(13-14-5-9-16(25-4)10-6-14)26(23,24)17-11-7-15(8-12-17)19(21)22/h5-12,21-22H,13H2,1-4H3
InChI Key:
IEROFVLRFGYWHA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN(S(=O)(=O)c1ccc(cc1)B(O)O)C(C)(C)C
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.147g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
377.262g/mol
Monoisotopic Mass:
377.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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