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Home > Boronic Acids > 1704080-61-4
1704080-61-4 | (2-methoxy-5-((4-methylpiperazin-1-yl)sulfonyl)phenyl)boronic acid
CAS No: 1704080-61-4 Catalog No: AG019EZY MDL No:MFCD28400411
Product Description
Catalog Number:
AG019EZY
Chemical Name:
(2-methoxy-5-((4-methylpiperazin-1-yl)sulfonyl)phenyl)boronic acid
CAS Number:
1704080-61-4
Molecular Formula:
C12H19BN2O5S
Molecular Weight:
314.1657
MDL Number:
MFCD28400411
IUPAC Name:
[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]boronic acid
InChI:
InChI=1S/C12H19BN2O5S/c1-14-5-7-15(8-6-14)21(18,19)10-3-4-12(20-2)11(9-10)13(16)17/h3-4,9,16-17H,5-8H2,1-2H3
InChI Key:
BWDVJISMKUOJSU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1B(O)O)S(=O)(=O)N1CCN(CC1)C
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.163g/mol
Monoisotopic Mass:
314.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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