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Home > Boronic Acids > 1003043-43-3
1003043-43-3 | Boronic acid, B-[6-[4-[(4-chlorophenyl)sulfonyl]-1-piperazinyl]-3-pyridinyl]-
CAS No: 1003043-43-3 Catalog No: AG0001JH MDL No:MFCD23701647
Product Description
Catalog Number:
AG0001JH
Chemical Name:
Boronic acid, B-[6-[4-[(4-chlorophenyl)sulfonyl]-1-piperazinyl]-3-pyridinyl]-
CAS Number:
1003043-43-3
Molecular Formula:
C15H17BClN3O4S
Molecular Weight:
381.6422
MDL Number:
MFCD23701647
IUPAC Name:
[6-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyridin-3-yl]boronic acid
InChI:
InChI=1S/C15H17BClN3O4S/c17-13-2-4-14(5-3-13)25(23,24)20-9-7-19(8-10-20)15-6-1-12(11-18-15)16(21)22/h1-6,11,21-22H,7-10H2
InChI Key:
JDAUUSKHFBENJG-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cn1)B(O)O
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.072g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
381.638g/mol
Monoisotopic Mass:
381.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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