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Home > Boronic Acids > 957060-92-3
957060-92-3 | 3-(4-Methylpiperazine-1-carbonyl)phenylboronic acid, HCl
CAS No: 957060-92-3 Catalog No: AG00IJDF MDL No:MFCD09027254
Product Description
Catalog Number:
AG00IJDF
Chemical Name:
3-(4-Methylpiperazine-1-carbonyl)phenylboronic acid, HCl
CAS Number:
957060-92-3
Molecular Formula:
C12H18BClN2O3
Molecular Weight:
284.5469
MDL Number:
MFCD09027254
IUPAC Name:
[3-(4-methylpiperazine-1-carbonyl)phenyl]boronic acid;hydrochloride
InChI:
InChI=1S/C12H17BN2O3.ClH/c1-14-5-7-15(8-6-14)12(16)10-3-2-4-11(9-10)13(17)18;/h2-4,9,17-18H,5-8H2,1H3;1H
InChI Key:
HVQOCKSJONHMKQ-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)c1cccc(c1)B(O)O.Cl
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
284.547g/mol
Monoisotopic Mass:
284.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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