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Home > Boronic Acids > 1402238-35-0
1402238-35-0 | 4-(N-(3-Methoxypropyl)sulfamoyl)-2-trifluoromethylphenylboronic acid
CAS No: 1402238-35-0 Catalog No: AG009BS5 MDL No:MFCD18783144
Product Description
Catalog Number:
AG009BS5
Chemical Name:
4-(N-(3-Methoxypropyl)sulfamoyl)-2-trifluoromethylphenylboronic acid
CAS Number:
1402238-35-0
Molecular Formula:
C11H15BF3NO5S
Molecular Weight:
341.1117
MDL Number:
MFCD18783144
IUPAC Name:
[4-(3-methoxypropylsulfamoyl)-2-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C11H15BF3NO5S/c1-21-6-2-5-16-22(19,20)8-3-4-10(12(17)18)9(7-8)11(13,14)15/h3-4,7,16-18H,2,5-6H2,1H3
InChI Key:
XLTWJZSSXSRUIQ-UHFFFAOYSA-N
SMILES:
COCCCNS(=O)(=O)c1ccc(c(c1)C(F)(F)F)B(O)O
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.072g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
341.108g/mol
Monoisotopic Mass:
341.072g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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