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Home > Boronic Acids > 1428327-90-5
1428327-90-5 | {4-[4-(Ethanesulfonyl)piperazin-1-yl]phenyl}boronic acid
CAS No: 1428327-90-5 Catalog No: AG00HWP4 MDL No:MFCD27935825
Product Description
Catalog Number:
AG00HWP4
Chemical Name:
{4-[4-(Ethanesulfonyl)piperazin-1-yl]phenyl}boronic acid
CAS Number:
1428327-90-5
Molecular Formula:
C12H19BN2O4S
Molecular Weight:
298.1663
MDL Number:
MFCD27935825
IUPAC Name:
[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]boronic acid
InChI:
InChI=1S/C12H19BN2O4S/c1-2-20(18,19)15-9-7-14(8-10-15)12-5-3-11(4-6-12)13(16)17/h3-6,16-17H,2,7-10H2,1H3
InChI Key:
OVWBDFPFKVCXJA-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)N1CCN(CC1)c1ccc(cc1)B(O)O
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.164g/mol
Monoisotopic Mass:
298.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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