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Home > Boronic Acids > 914610-81-4
914610-81-4 | (3-((4-(tert-butoxycarbonyl)piperazin-1-yl)sulfonyl)phenyl)boronic acid
CAS No: 914610-81-4 Catalog No: AG01DDLN MDL No:MFCD28384265
Product Description
Catalog Number:
AG01DDLN
Chemical Name:
(3-((4-(tert-butoxycarbonyl)piperazin-1-yl)sulfonyl)phenyl)boronic acid
CAS Number:
914610-81-4
Molecular Formula:
C15H23BN2O6S
Molecular Weight:
370.2289
MDL Number:
MFCD28384265
IUPAC Name:
[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonylphenyl]boronic acid
InChI:
InChI=1S/C15H23BN2O6S/c1-15(2,3)24-14(19)17-7-9-18(10-8-17)25(22,23)13-6-4-5-12(11-13)16(20)21/h4-6,11,20-21H,7-10H2,1-3H3
InChI Key:
XNOZXZIWFVIYHA-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)S(=O)(=O)c1cccc(c1)B(O)O)OC(C)(C)C
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.137g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
370.227g/mol
Monoisotopic Mass:
370.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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