CAS
17595-86-7 Purity
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17595-86-7 Purity
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4-(Toluene-4-sulfonylamino)phenylboronic acid, pinacol ester
CAS
674776-54-6
Catalog Number
ACM674776546-1
Category
Boronic Esters
Molecular Weight
373.3g/mol
Molecular Formula
C19H24BNO4S
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Specification
IUPAC Name
4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C19H24BNO4S/c1-14-6-12-17(13-7-14)26(22,23)21-16-10-8-15(9-11-16)20-24-18(2,3)19(4,5)25-20/h6-13,21H,1-5H3
InChI Key
RLVWYHYMSBRBKK-UHFFFAOYSA-N
Complexity
569
Covalently-Bonded Unit Count
1
Exact Mass
373.15191g/mol
Formal Charge
0
H-Bond Acceptor
5
H-Bond Donor
1
Heavy Atom Count
26
Monoisotopic Mass
373.15191g/mol
Rotatable Bond Count
4
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