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Home > Boronic Acids > 1704067-22-0
1704067-22-0 | (4-(N,N-diethylsulfaMoyl)-3,5-diMethylphenyl)boronic acid
CAS No: 1704067-22-0 Catalog No: AG00ARDC MDL No:MFCD28384284
Product Description
Catalog Number:
AG00ARDC
Chemical Name:
(4-(N,N-diethylsulfaMoyl)-3,5-diMethylphenyl)boronic acid
CAS Number:
1704067-22-0
Molecular Formula:
C12H20BNO4S
Molecular Weight:
285.1675
MDL Number:
MFCD28384284
IUPAC Name:
[4-(diethylsulfamoyl)-3,5-dimethylphenyl]boronic acid
InChI:
InChI=1S/C12H20BNO4S/c1-5-14(6-2)19(17,18)12-9(3)7-11(13(15)16)8-10(12)4/h7-8,15-16H,5-6H2,1-4H3
InChI Key:
PHMYJQTZLISWIU-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1c(C)cc(cc1C)B(O)O)CC
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.165g/mol
Monoisotopic Mass:
285.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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