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Home > Boronic Acids > 1072946-63-4
1072946-63-4 | (2-(N-Benzylsulfamoyl);-5-methylphenyl);boronic acid
CAS No: 1072946-63-4 Catalog No: AG003BK8 MDL No:MFCD11053856
Product Description
Catalog Number:
AG003BK8
Chemical Name:
(2-(N-Benzylsulfamoyl);-5-methylphenyl);boronic acid
CAS Number:
1072946-63-4
Molecular Formula:
C14H16BNO4S
Molecular Weight:
305.1571
MDL Number:
MFCD11053856
IUPAC Name:
[2-(benzylsulfamoyl)-5-methylphenyl]boronic acid
InChI:
InChI=1S/C14H16BNO4S/c1-11-7-8-14(13(9-11)15(17)18)21(19,20)16-10-12-5-3-2-4-6-12/h2-9,16-18H,10H2,1H3
InChI Key:
HHRKXIUUPXKKLE-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)B(O)O)S(=O)(=O)NCc1ccccc1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.089g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
305.155g/mol
Monoisotopic Mass:
305.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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