Home Boronic Acids 1003298-86-9
1003298-86-9,MFCD08056367
Catalog No.:AA0001JE
1003298-86-9 | (3-(N,N-Diethylsulfamoyl)-4-methoxyphenyl)boronic acid
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Technical Information
Catalog Number:
AA0001JE
Chemical Name:
(3-(N,N-Diethylsulfamoyl)-4-methoxyphenyl)boronic acid
CAS Number:
1003298-86-9
Molecular Formula:
C11H18BNO5S
Molecular Weight:
287.1403
MDL Number:
MFCD08056367
IUPAC Name:
[3-(diethylsulfamoyl)-4-methoxyphenyl]boronic acid
InChI:
InChI=1S/C11H18BNO5S/c1-4-13(5-2)19(16,17)11-8-9(12(14)15)6-7-10(11)18-3/h6-8,14-15H,4-5H2,1-3H3
InChI Key:
URMKPGLOFMAUIZ-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1cc(ccc1OC)B(O)O)CC
Properties
Computed Properties
 
Complexity:
366  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
287.137g/mol
Monoisotopic Mass:
287.1g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
871333-03-8 
(3-(N,N-Diethylsulfamoyl)-4-methoxyphenyl)boronic acid 
DTXSID30657425 
ZX-AT009037 
ANW-38610 
MFCD08056367 
OR9389 
AKOS015833525 
ZINC169745534 
AM86196 
RTR-027274 
AS-55625 
1003298-86-9 
AX8230449 
TR-027274 
CS-0061511 
FT-0688837 
ST24020341 
V8388 
B-4495 
3-(diethylsulfamoyl)-4-methoxyphenylboronic acid 
N,N-Diethyl-5-borono-2-methoxybenzenesulfonamide 
3-(Diethylsulphamoyl)-4-methoxybenzeneboronic acid 
N,N-Diethyl 5-borono-2-methoxybenzenesulfonamide 
5-Borono-N,N-diethyl-2-methoxybenzenesulphonamide 
I01-10596 
B-[3-[(diethylamino)sulfonyl]-4-methoxyphenyl]Boronic acid 
Boronic acid,B-[3-[(diethylamino)sulfonyl]-5-methoxyphenyl]- 
[3-(diethylsulfamoyl)-4-methoxyphenyl]boronic acid 
Boronic acid, B-[3-[(diethylamino)sulfonyl]-4-methoxyphenyl]- 
ACMC-209qhw 
C11H18BNO5S 
CTK5F7970 
Literature
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