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Home > Boronic Acids > 1704095-62-4
1704095-62-4 | (5-((4-(tert-butoxycarbonyl)piperazin-1-yl)sulfonyl)-2-Methoxyphenyl)boronic acid
CAS No: 1704095-62-4 Catalog No: AG00AREX MDL No:
Product Description
Catalog Number:
AG00AREX
Chemical Name:
(5-((4-(tert-butoxycarbonyl)piperazin-1-yl)sulfonyl)-2-Methoxyphenyl)boronic acid
CAS Number:
1704095-62-4
IUPAC Name:
[2-methoxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonylphenyl]boronic acid
InChI:
InChI=1S/C16H25BN2O7S/c1-16(2,3)26-15(20)18-7-9-19(10-8-18)27(23,24)12-5-6-14(25-4)13(11-12)17(21)22/h5-6,11,21-22H,7-10H2,1-4H3
InChI Key:
NWTPQIPMKBUCLO-UHFFFAOYSA-N
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.148g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
400.253g/mol
Monoisotopic Mass:
400.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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