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Home > Boronic Acids > 1704066-78-3
1704066-78-3 | 3-(4-(tert-butoxycarbonyl)piperazin-1-ylsulfonyl)-4-Methylphenylboronic acid
CAS No: 1704066-78-3 Catalog No: AG00ARLJ MDL No:MFCD28384273
Product Description
Catalog Number:
AG00ARLJ
Chemical Name:
3-(4-(tert-butoxycarbonyl)piperazin-1-ylsulfonyl)-4-Methylphenylboronic acid
CAS Number:
1704066-78-3
Molecular Formula:
C16H25BN2O6S
Molecular Weight:
384.2555
MDL Number:
MFCD28384273
IUPAC Name:
[4-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonylphenyl]boronic acid
InChI:
InChI=1S/C16H25BN2O6S/c1-12-5-6-13(17(21)22)11-14(12)26(23,24)19-9-7-18(8-10-19)15(20)25-16(2,3)4/h5-6,11,21-22H,7-10H2,1-4H3
InChI Key:
PMWSSCJJHFBRRM-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C)C)O
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.153g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
384.254g/mol
Monoisotopic Mass:
384.153g/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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