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Home > Boronic Acids > 1704069-12-4
1704069-12-4 | (4-((4-(tert-butoxycarbonyl)piperazin-1-yl)sulfonyl)-3,5-diMethylphenyl)boronic acid
CAS No: 1704069-12-4 Catalog No: AG00ARBU MDL No:MFCD28384280
Product Description
Catalog Number:
AG00ARBU
Chemical Name:
(4-((4-(tert-butoxycarbonyl)piperazin-1-yl)sulfonyl)-3,5-diMethylphenyl)boronic acid
CAS Number:
1704069-12-4
MDL Number:
MFCD28384280
IUPAC Name:
[3,5-dimethyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonylphenyl]boronic acid
InChI:
InChI=1S/C17H27BN2O6S/c1-12-10-14(18(22)23)11-13(2)15(12)27(24,25)20-8-6-19(7-9-20)16(21)26-17(3,4)5/h10-11,22-23H,6-9H2,1-5H3
InChI Key:
WHVGCEDEXIQUGR-UHFFFAOYSA-N
Properties
Complexity:
610
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.168g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
398.281g/mol
Monoisotopic Mass:
398.168g/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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