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Home > Boronic Acids > 874459-69-5
874459-69-5 | (3-(N-(tert-butyl)sulfamoyl)-4-methoxyphenyl)boronic acid
CAS No: 874459-69-5 Catalog No: AG01DDII MDL No:MFCD28400500
Product Description
Catalog Number:
AG01DDII
Chemical Name:
(3-(N-(tert-butyl)sulfamoyl)-4-methoxyphenyl)boronic acid
CAS Number:
874459-69-5
Molecular Formula:
C11H18BNO5S
Molecular Weight:
287.1403
MDL Number:
MFCD28400500
IUPAC Name:
[3-(tert-butylsulfamoyl)-4-methoxyphenyl]boronic acid
InChI:
InChI=1S/C11H18BNO5S/c1-11(2,3)13-19(16,17)10-7-8(12(14)15)5-6-9(10)18-4/h5-7,13-15H,1-4H3
InChI Key:
LLWKYPQKXDZYMQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1S(=O)(=O)NC(C)(C)C)B(O)O
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
287.137g/mol
Monoisotopic Mass:
287.1g/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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