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Home > Boronic Acids > 957066-10-3
957066-10-3 | (4-(N-(3-Chloro-2-methylphenyl);sulfamoyl);phenyl);boronic acid
CAS No: 957066-10-3 Catalog No: AG003BU5 MDL No:MFCD09878330
Product Description
Catalog Number:
AG003BU5
Chemical Name:
(4-(N-(3-Chloro-2-methylphenyl);sulfamoyl);phenyl);boronic acid
CAS Number:
957066-10-3
Molecular Formula:
C13H13BClNO4S
Molecular Weight:
325.5756
MDL Number:
MFCD09878330
IUPAC Name:
[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]boronic acid
InChI:
InChI=1S/C13H13BClNO4S/c1-9-12(15)3-2-4-13(9)16-21(19,20)11-7-5-10(6-8-11)14(17)18/h2-8,16-18H,1H3
InChI Key:
SMPORGPEQYCOAP-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)S(=O)(=O)Nc1cccc(c1C)Cl)O
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.035g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
325.57g/mol
Monoisotopic Mass:
325.035g/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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