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Home > Boronic Acids > 957062-98-5
957062-98-5 | (4-(N-(4-(Trifluoromethoxy)phenyl)sulfamoyl)phenyl)boronic acid
CAS No: 957062-98-5 Catalog No: AG006BMT MDL No:MFCD09878331
Product Description
Catalog Number:
AG006BMT
Chemical Name:
(4-(N-(4-(Trifluoromethoxy)phenyl)sulfamoyl)phenyl)boronic acid
CAS Number:
957062-98-5
Molecular Formula:
C13H11BF3NO5S
Molecular Weight:
361.1013
MDL Number:
MFCD09878331
IUPAC Name:
[4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]boronic acid
InChI:
InChI=1S/C13H11BF3NO5S/c15-13(16,17)23-11-5-3-10(4-6-11)18-24(21,22)12-7-1-9(2-8-12)14(19)20/h1-8,18-20H
InChI Key:
SZIKGKUJHXEEAH-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)OC(F)(F)F)O
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.04g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
361.098g/mol
Monoisotopic Mass:
361.04g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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