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Home > Boronic Acids > 957061-06-2
957061-06-2 | (3-((2-(Mesitylsulfonyl)hydrazono)methyl)phenyl)boronic acid
CAS No: 957061-06-2 Catalog No: AG003HYT MDL No:MFCD09258740
Product Description
Catalog Number:
AG003HYT
Chemical Name:
(3-((2-(Mesitylsulfonyl)hydrazono)methyl)phenyl)boronic acid
CAS Number:
957061-06-2
Molecular Formula:
C16H19BN2O4S
Molecular Weight:
346.2091
MDL Number:
MFCD09258740
IUPAC Name:
[3-[(E)-[(2,4,6-trimethylphenyl)sulfonylhydrazinylidene]methyl]phenyl]boronic acid
InChI:
InChI=1S/C16H19BN2O4S/c1-11-7-12(2)16(13(3)8-11)24(22,23)19-18-10-14-5-4-6-15(9-14)17(20)21/h4-10,19-21H,1-3H3/b18-10+
InChI Key:
CNCIYFHRILXDLV-VCHYOVAHSA-N
SMILES:
Cc1cc(C)c(c(c1)C)S(=O)(=O)N/N=C/c1cccc(c1)B(O)O
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
346.116g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
346.208g/mol
Monoisotopic Mass:
346.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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