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Home > Boronic Acids > 957120-95-5
957120-95-5 | (4-(N-(Naphthalen-1-yl);sulfamoyl);phenyl);boronic acid
CAS No: 957120-95-5 Catalog No: AG003BU8 MDL No:MFCD09800885
Product Description
Catalog Number:
AG003BU8
Chemical Name:
(4-(N-(Naphthalen-1-yl);sulfamoyl);phenyl);boronic acid
CAS Number:
957120-95-5
Molecular Formula:
C16H14BNO4S
Molecular Weight:
327.1627
MDL Number:
MFCD09800885
IUPAC Name:
[4-(naphthalen-1-ylsulfamoyl)phenyl]boronic acid
InChI:
InChI=1S/C16H14BNO4S/c19-17(20)13-8-10-14(11-9-13)23(21,22)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,18-20H
InChI Key:
UOKSWRGMRNZXCO-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)S(=O)(=O)Nc1cccc2c1cccc2)O
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.074g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
327.161g/mol
Monoisotopic Mass:
327.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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